SCHEMBL6580281

SCHEMBL6580281

COc1ccc(CSc2nc(Sc3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2OC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRS3 P32247 1/20 0.39
EDNRB P24530 4/20 0.39
EDNRA P25101 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SCN9A Q15858 1/20 0.37
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
SCHEMBL7501556 0.93 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6582681 0.91 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580278 0.91 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2EDNRB
SCHEMBL6579951 0.89 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL8323946 0.88 EDNRB (0.40) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580054 0.87 BRS3 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL7499196 0.84 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580198 0.84 EDNRA (0.44) KDM4EALDH1A1HPGDSMN1; SMN2EDNRB
SCHEMBL7501396 0.82 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6579920 0.81 EDNRA (0.46) KDM4EALDH1A1HPGDSMN1; SMN2BRS3

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-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 claimed