SCHEMBL6582430

SCHEMBL6582430

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.43
EDNRB P24530 5/20 0.41
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8329904 0.94 PPARG (0.38) EDNRAEDNRBPPARGALDH1A1SMN1; SMN2
SCHEMBL8431525 0.90 EDNRA (0.41) EDNRAEDNRBMEN1ALDH1A1HTT
SCHEMBL6580198 0.88 EDNRA (0.44) EDNRAEDNRBALDH1A1SMN1; SMN2
SCHEMBL6582508 0.87 EDNRA (0.43) EDNRAEDNRBMEN1ALDH1A1HTT
SCHEMBL7495951 0.87 EDNRA (0.46) EDNRAEDNRBALDH1A1SMN1; SMN2
SCHEMBL6579920 0.87 EDNRA (0.46) EDNRAEDNRBALDH1A1SMN1; SMN2
SCHEMBL8434768 0.85 EDNRA (0.52) EDNRAEDNRBALDH1A1SMN1; SMN2
SCHEMBL8432517 0.85 EDNRA (0.42) EDNRAEDNRB
SCHEMBL8435187 0.85 EDNRA (0.44) EDNRAEDNRBALDH1A1SMN1; SMN2
SCHEMBL9093216 0.84 EDNRA (0.46) EDNRAEDNRBALDH1A1SMN1; 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-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
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
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