SCHEMBL9635576

SCHEMBL9635576

N#Cc1cc(=O)c2cccc(CBr)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT6 P42226 1/20 0.38
LOXL2 Q9Y4K0 3/20 0.38
KMT2A Q03164 1/20 0.38
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
TNKS O95271 1/20 0.34
PRKDC P78527 2/20 0.34
GPR35 Q9HC97 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
CYP2A6 P11509 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9160788 0.77 CYP1A2 (0.40) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL9636992 0.77 PRKDC (0.49) CYP3A4LOXL2TNKSPRKDCCA1
SCHEMBL4761517 0.72 GPR35 (0.59) CYP2D6CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4019634 0.72 GLA (0.48) CYP3A4LMNARAB9A
SCHEMBL4013917 0.71 SLC11A2 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL10469256 0.70 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL6961386 0.70 GPR35 (0.67) CYP2D6CYP3A4CYP2C19GPR35LMNA
SCHEMBL10470472 0.70 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL6960093 0.70 GPR35 (0.64) GPR35LMNAHTTRAB9A
SCHEMBL10470428 0.70 CDK1 (0.40) CYP2D6CYP1A2CYP3A4CYP2C19STAT6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed