SCHEMBL6582681

SCHEMBL6582681

COc1ccc(Sc2nc(Sc3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2OC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRS3 P32247 3/20 0.38
EDNRB P24530 6/20 0.38
EDNRA P25101 6/20 0.38
USP2 O75604 1/20 0.36
SCN9A Q15858 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
SCHEMBL6579951 0.97 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580281 0.91 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580198 0.89 EDNRA (0.44) KDM4EALDH1A1HPGDSMN1; SMN2EDNRB
SCHEMBL6579920 0.86 EDNRA (0.46) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL7506638 0.85 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL8524654 0.83 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL7501556 0.83 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL6580278 0.83 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2EDNRB
SCHEMBL6588042 0.81 BRS3 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2BRS3
SCHEMBL8323946 0.81 EDNRB (0.40) 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