SCHEMBL7494876

SCHEMBL7494876

CCCc1nc(Sc2ccc(OC)c(OC)c2)cn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.39
EDNRB P24530 3/20 0.37
P2RX7 Q99572 4/20 0.35
BRS3 P32247 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PGK1 P00558 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8785836 0.82 EDNRA (0.40) EDNRAEDNRBP2RX7ALDH1A1CYP3A4
SCHEMBL8589478 0.80 EDNRA (0.45) EDNRASLC22A12LMNASMN1; SMN2ALDH1A1
SCHEMBL7498870 0.78 EDNRA (0.59) EDNRAEDNRBSMN1; SMN2ALDH1A1
SCHEMBL7507367 0.76 EDNRA (0.48) EDNRAEDNRBLMNASMN1; SMN2ALDH1A1
SCHEMBL8434241 0.74 EDNRA (0.53) EDNRAEDNRBLMNASMN1; SMN2ALDH1A1
SCHEMBL8785947 0.72 P2RX7 (0.39) P2RX7BRS3SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL8784871 0.72 EDNRA (0.48) EDNRASLC22A12LMNASMN1; SMN2ALDH1A1
SCHEMBL7498869 0.71 EDNRA (0.39) EDNRAEDNRBP2RX7BRS3SLC22A12
SCHEMBL8784106 0.70 EDNRA (0.47) EDNRASLC22A12SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8592901 0.70 EDNRA (0.70) EDNRASLC22A12SMN1; SMN2ALDH1A1CYP3A4

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 2 patents. 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
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