Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6213714 | 0.92 | ALDH1A1 (0.57) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL7542424 | 0.92 | KDM4E (0.58) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| Pradofloxacin SCHEMBL7975579 | 0.91 | KDM4E (0.63) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL7541573 | 0.91 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL7537093 | 0.91 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL7546889 | 0.90 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| Trifluoroacetic Acid SCHEMBL7536833 | 0.87 | KDM4E (0.57) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL7975584 | 0.85 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL8741133 | 0.83 | KDM4E (0.63) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL8802920 | 0.83 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882049-B1 | POSSIBLY SUBSTITUTED 8-CYANO-1-CYCLOPROPYL-7-(2,8-DIAZABICYCLO- 4.3.0]-NONAN-8-YL)-6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLIN CARBOXYLIC ACIDS AND THEIR DERIVATIVES | BAYER AG (DE) | 2002-11-20 | — | — | EP | disclosed |
| EP-1215202-A1 | Intermediates for the preparation of possibly substituted 8-cyano-1-cyclopropyl-7-(2,8-diazabicyclo-(4.3.0)-nonan-8-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolin carboxylic acids and their derivatives | BAYER AG (DE) | 2002-06-19 | — | — | EP | disclosed |