Table 4 Similar structures obtained by similarity search through PubChem database (Tanimoto threshold ≥ 90%)
Structure (PubChem CID) | Target gene (Uniprot ID) | Organism | Activity (µM) | BioAssay AID |
|---|---|---|---|---|
1103113 | SRC (P12931) | Homo sapiens | 1.3 | 485313 |
2873325 | NS3 Helicase (P29846) | Hepatitis C Virus | Active | 720488 |
1405531 | Grm8 (P70579) | Rattus norvegicus | Active | 488969 |
2363161 | SRC (P12931) | Homo sapiens | 0.9 | 317425 |
2363161 | ABL1 (P00519) | Homo sapiens | 0.406 | 317426 |
2192320 | SRC (P12931) | Homo sapiens | 0.718 | 317425 |
2192320 | ABL1 (P00519) | Homo sapiens | 0.272 | 317426 |
4380426 | NPC1 (O15118) | Homo sapiens | 3.1623 | 485313 |
4380426 | RAB9A (P51151) | Homo sapiens | 3.9811 | 485297 |
4380426 | Smarca4 (Q3TKT4) | Mus musculus | Active | 602393 |
4380426 | MDM4 (O15151) | Homo sapiens | Active | 485346 |
4380426 | MDM2 (Q00987) | Homo sapiens | Active | 485346 |
3787336 | PTBP1 (P26599) | Homo sapiens | Active | 2417 |
3787336 | Cysteine protease (A6XG55) | Trypanosoma cruzi | 25.1189 | 1476 |
878365 | SENP6 (Q9GZR1) | Homo sapiens | Active | 2599 |
878365 | SENP7 (Q9BQF6) | Homo sapiens | 16.8 | 488904 |
878365 | CASP3 (P42574) | Homo sapiens | 18.9 | 488901 |
3669135 | Rorc (P51450) | Mus musculus | 17.7828 | 2551 |
3669135 | SENP7 (Q9BQF6) | Homo sapiens | Active | 434973 |
3669135 | PAFAH1B2 (P68402) | Homo sapiens | Active | 492953 |
3669135 | MC4R (P32245) | Homo sapiens | Active | 540308 |
753766 | FAK1 (Q05397) | Homo sapiens | 11.87 | 657571 |
4420955 | FAK1 (Q05397) | Homo sapiens | 12.68 | 657571 |