Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-(2-Bromoacetyl)-Coumarin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | MAOB | P27338 | 6/20 | 0.61 |
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | NT5E | P21589 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 3-(2-Bromoacetyl)-Coumarin SCHEMBL3022073 | 0.94 | LMNA (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| 3-(2-Bromoacetyl)-Coumarin SCHEMBL30633043 | 0.94 | LMNA (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| 3-(2-Bromoacetyl)-Coumarin SCHEMBL28782184 | 0.93 | KDM4E (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL7349348 | 0.85 | LMNA (0.78) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL13561369 | 0.82 | LMNA (1.00) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL29961413 | 0.82 | LMNA (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL26656965 | 0.79 | LMNA (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL15842724 | 0.79 | LMNA (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL13560755 | 0.78 | LMNA (0.68) | LMNAKDM4EMAOBCA12CA9 | |
| SCHEMBL28703856 | 0.78 | MAOB (0.68) | MAOBCA12CA9TSHRCA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108774277-B | Thiazole derivative containing glucosamine and coumarin molecules, and preparation method and application thereof | 淮海工学院 | 2021-12-21 | — | — | CN | disclosed |