SCHEMBL8784269

SCHEMBL8784269

COc1ccc(CCSc2nc(C)n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.45
EDNRB P24530 3/20 0.42
BRS3 P32247 2/20 0.40
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
SLC22A12 Q96S37 1/20 0.39
RAB9A P51151 1/20 0.38
IDO1 P14902 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
SCHEMBL8434873 0.92 EDNRA (0.45) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL7495951 0.86 EDNRA (0.46) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL8431736 0.85 BRS3 (0.42) EDNRABRS3KDM4EALDH1A1HPGD
SCHEMBL7501396 0.83 EDNRA (0.45) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL8784280 0.83 EDNRA (0.43) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL6580208 0.82 EDNRB (0.45) EDNRAEDNRBBRS3
SCHEMBL3839001 0.81 EDNRA (0.45) EDNRAEDNRBBRS3KDM4EALDH1A1
SCHEMBL7496916 0.81 EDNRA (0.54) EDNRAEDNRBBRS3
SCHEMBL6580278 0.79 EDNRA (0.45) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7502700 0.79 EDNRA (0.43) EDNRAEDNRBBRS3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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