SCHEMBL7501739

SCHEMBL7501739

CCCCc1nc(S(=O)(=O)c2ccc(OC)cc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.47
EDNRB P24530 5/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
BRS3 P32247 1/20 0.37

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
SCHEMBL8434729 0.91 EDNRA (0.40) EDNRAALDH1A1TSHRBRS3
SCHEMBL8434730 0.83 EDNRA (0.39) EDNRAEDNRBALDH1A1TSHRBRS3
SCHEMBL7501757 0.83 EDNRA (0.55) EDNRAEDNRBBRS3
SCHEMBL7496916 0.82 EDNRA (0.54) EDNRAEDNRBBRS3
SCHEMBL7499877 0.79 EDNRA (0.45) EDNRAEDNRBALDH1A1BRS3
SCHEMBL7501847 0.78 EDNRA (0.58) EDNRAALDH1A1
SCHEMBL7499419 0.77 EDNRA (0.45) EDNRAEDNRBALDH1A1BRS3
SCHEMBL8434967 0.77 EDNRA (0.63) EDNRA
SCHEMBL7506638 0.75 EDNRA (0.45) EDNRAEDNRBALDH1A1BRS3
SCHEMBL8435078 0.75 EDNRA (0.47) EDNRABRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907006-A Compositions for the coating of substrates of matt appearance RENNIE STEPHEN (GB) 1999-05-25 US claimed
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