SCHEMBL6580208

SCHEMBL6580208

COc1ccc(CSc2nc(-c3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.45
EDNRA P25101 4/20 0.45
BRS3 P32247 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8330624 0.94 EDNRB (0.40) EDNRBEDNRABRS3TP53
SCHEMBL8434873 0.90 EDNRA (0.45) EDNRBEDNRABRS3TP53
SCHEMBL6582508 0.89 EDNRA (0.43) EDNRBEDNRA
SCHEMBL7501396 0.88 EDNRA (0.45) EDNRBEDNRABRS3
SCHEMBL6580124 0.88 MEN1 (0.41) EDNRBEDNRABRS3TP53
SCHEMBL6580278 0.87 EDNRA (0.45) EDNRBEDNRA
SCHEMBL3839001 0.86 EDNRA (0.45) EDNRBEDNRABRS3TP53
SCHEMBL7502700 0.84 EDNRA (0.43) EDNRBEDNRABRS3TP53
SCHEMBL7496916 0.84 EDNRA (0.54) EDNRBEDNRABRS3
SCHEMBL8431736 0.83 BRS3 (0.42) 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 2 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 disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed