SCHEMBL6580278

SCHEMBL6580278

COc1ccc(CSc2nc(Sc3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.45
EDNRB P24530 9/20 0.45
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

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
SCHEMBL8323946 0.94 EDNRB (0.40) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6580198 0.92 EDNRA (0.44) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7501396 0.92 EDNRA (0.45) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6580281 0.91 KDM4E (0.39) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6579920 0.89 EDNRA (0.46) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6580054 0.88 BRS3 (0.39) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6580208 0.87 EDNRB (0.45) EDNRAEDNRB
SCHEMBL8434873 0.87 EDNRA (0.45) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL8434942 0.85 BRS3 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3839001 0.84 EDNRA (0.45) EDNRAEDNRBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP claimed
EP-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed