SCHEMBL7494883

SCHEMBL7494883

CCCSc1nc(Sc2ccc(OC)cc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EDNRB P24530 7/20 0.40
BRS3 P32247 1/20 0.39
APLNR P35414 1/20 0.38

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
SCHEMBL8431636 0.93 ALDH1A1 (0.40) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6579920 0.92 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580198 0.89 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434768 0.86 EDNRA (0.52) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7495951 0.86 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7548343 0.85 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501757 0.85 EDNRA (0.55) EDNRAEDNRBBRS3
SCHEMBL8435187 0.84 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501396 0.84 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8524654 0.84 SMN1; SMN2 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776325-B1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-11-20 EP disclosed
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
EP-0776325-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-06-04 EP disclosed
WO-1996004276-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed