SCHEMBL6579951

SCHEMBL6579951

COc1ccc(Sc2nc(Sc3ccc(OC)cc3)n(Cc3cc4c(cc3Cl)OCO4)c2OC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
BRS3 P32247 3/20 0.39
EDNRA P25101 2/20 0.38
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL6582681 0.97 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL6580281 0.89 KDM4E (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL6579920 0.88 EDNRA (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL7506638 0.88 EDNRA (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL6580198 0.86 EDNRA (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDEDNRA
SCHEMBL8524654 0.86 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL7501556 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL6588042 0.84 BRS3 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL7495951 0.81 EDNRA (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3
SCHEMBL7494883 0.80 EDNRA (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDBRS3

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