SCHEMBL7501556

SCHEMBL7501556

COc1ccc(CSc2nc(SCc3ccc(OC)cc3)n(Cc3cc4c(cc3Cl)OCO4)c2OC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BRS3 P32247 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
EDNRA P25101 1/20 0.38
AURKA O14965 1/20 0.38
CSNK1E P49674 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL6580281 0.93 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL7501396 0.89 EDNRA (0.45) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL7499196 0.87 EDNRA (0.45) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL8434942 0.85 BRS3 (0.42) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL6579951 0.85 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL6580022 0.83 BRS3 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL6582681 0.83 KDM4E (0.40) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL6580278 0.83 EDNRA (0.45) SMN1; SMN2KDM4EALDH1A1HPGDEDNRA
SCHEMBL8434873 0.82 EDNRA (0.45) SMN1; SMN2KDM4EALDH1A1HPGDBRS3
SCHEMBL8323946 0.81 EDNRB (0.40) SMN1; SMN2KDM4EALDH1A1HPGDBRS3

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