SCHEMBL9636992

SCHEMBL9636992

Cc1cccc2c(=O)cc(C#N)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.49
MCL1 Q07820 1/20 0.41
TNKS O95271 1/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2A6 P11509 1/20 0.35
NR3C2 P08235 1/20 0.35
ELANE P08246 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL29677981 0.78 PRKDC (0.55) PRKDCMCL1CSNK2A2CSNK2BCSNK2A1
SCHEMBL1319784 0.78 PRKDC (0.55) PRKDCMCL1CSNK2A2CSNK2BCSNK2A1
SCHEMBL9635576 0.77 CYP2D6 (0.38) PRKDCTNKSCA1CA2LMNA
SCHEMBL31673173 0.76 CYP2A6 (0.52) MAPTCYP2A6ADORA3ADORA2AADORA1
SCHEMBL4761517 0.76 GPR35 (0.59) CSNK2A2CSNK2BCSNK2A1ALDH1A1MAPT
SCHEMBL6960093 0.76 GPR35 (0.64) ALDH1A1LMNAKDM4EHPGD
SCHEMBL17843549 0.75 CYP2A6 (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL6961386 0.73 GPR35 (0.67) MAPTLMNACYP3A4HPGD
SCHEMBL16261665 0.73 TSHR (0.50) PRKDCMCL1CA1CA2ALDH1A1
SCHEMBL6956680 0.73 TNKS (0.58) TNKSCSNK2A2CSNK2BCSNK2A1CA1

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