SCHEMBL8784160

SCHEMBL8784160

CCC(C)c1ncc(Sc2ccc(OC)cc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.42
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8784161 0.82 BRS3 (0.39) BRS3
SCHEMBL7501755 0.79 EDNRA (0.44) BRS3KDM4EALDH1A1HPGD
SCHEMBL8435187 0.73 EDNRA (0.44) BRS3KDM4EALDH1A1HPGD
SCHEMBL7502700 0.72 EDNRA (0.43) BRS3KDM4EALDH1A1HPGD
SCHEMBL7506559 0.72 BRS3 (0.40) BRS3KDM4ENPC1ALDH1A1HPGD
SCHEMBL6588042 0.72 BRS3 (0.40) BRS3KDM4ENPC1ALDH1A1HPGD
SCHEMBL8434768 0.71 EDNRA (0.52) BRS3KDM4EALDH1A1HPGD
SCHEMBL8431751 0.70 EDNRA (0.48) BRS3KDM4EALDH1A1HPGD
SCHEMBL6577534 0.69 EDNRA (0.36) BRS3CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7495951 0.69 EDNRA (0.46) BRS3KDM4EALDH1A1HPGD

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