SCHEMBL7499196

SCHEMBL7499196

CCCCc1nc(SCc2ccc(OC)cc2)c(OC(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.45
TLR7 Q9NYK1 2/20 0.39
BRS3 P32247 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EDNRB P24530 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7496916 0.90 EDNRA (0.54) EDNRABRS3EDNRBAGTR1AGTR2
SCHEMBL7506638 0.89 EDNRA (0.45) EDNRATLR7BRS3KDM4EALDH1A1
SCHEMBL7501556 0.87 SMN1; SMN2 (0.43) EDNRABRS3KDM4EALDH1A1HPGD
SCHEMBL8435078 0.85 EDNRA (0.47) EDNRABRS3SMN1; SMN2AGTR1AGTR2
SCHEMBL7499419 0.84 EDNRA (0.45) EDNRABRS3KDM4EALDH1A1HPGD
SCHEMBL6580281 0.84 KDM4E (0.39) EDNRABRS3KDM4EALDH1A1HPGD
SCHEMBL7501892 0.83 EDNRA (0.48) EDNRATLR7KDM4EALDH1A1HPGD
SCHEMBL7501757 0.81 EDNRA (0.55) EDNRABRS3EDNRB
SCHEMBL8432538 0.81 EDNRA (0.40) EDNRABRS3AGTR1AGTR2LMNA
SCHEMBL7501806 0.79 EDNRA (0.57) EDNRATLR7KDM4EALDH1A1HPGD

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-B1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-11-20 EP claimed