SCHEMBL6162876

SCHEMBL6162876

CCCc1nc(Sc2ccc(OCC(=O)O)cc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.60
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EDNRB P24530 2/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
MCHR1 Q99705 1/20 0.35
MAPK1 P28482 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
SCHEMBL6162886 0.89 EDNRA (0.49) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6159406 0.88 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6160979 0.88 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434286 0.87 EDNRA (0.64) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501757 0.86 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7498870 0.85 EDNRA (0.59) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434768 0.84 EDNRA (0.52) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8589478 0.82 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8431316 0.82 EDNRA (0.52) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3837125 0.82 EDNRA (0.70) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863896-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2005-02-09 EP claimed
US-5986103-A IMIDAZOLE SUBSTITUTED BENZENE AND REDUCTION OF ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed