SCHEMBL6582508

SCHEMBL6582508

COc1ccc(Sc2nc(-c3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.43
EDNRB P24530 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 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
SCHEMBL8329557 0.93 MEN1 (0.39) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL7495951 0.90 EDNRA (0.46) EDNRAEDNRBALDH1A1
SCHEMBL6580208 0.89 EDNRB (0.45) EDNRAEDNRB
SCHEMBL6580198 0.89 EDNRA (0.44) EDNRAEDNRBALDH1A1
SCHEMBL6579920 0.88 EDNRA (0.46) EDNRAEDNRBALDH1A1
SCHEMBL6582430 0.87 EDNRA (0.43) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL6581992 0.86 MEN1 (0.42) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL8431525 0.86 EDNRA (0.41) EDNRAEDNRBMEN1KMT2AALDH1A1
SCHEMBL8434768 0.86 EDNRA (0.52) EDNRAEDNRBALDH1A1
SCHEMBL8432517 0.86 EDNRA (0.42) EDNRAEDNRB

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 disclosed
EP-0804435-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-11-05 EP disclosed
WO-1996004275-A1 NOVEL IMIDAZOLE DERIVATIVES, 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