SCHEMBL6588042

SCHEMBL6588042

COc1ccc(Sc2nc(Sc3ccc(OC)cc3)n(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EDNRA P25101 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7506559 0.91 BRS3 (0.40) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580054 0.87 BRS3 (0.39) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6581992 0.87 MEN1 (0.42) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6579920 0.84 EDNRA (0.46) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8524654 0.84 SMN1; SMN2 (0.39) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580022 0.84 BRS3 (0.43) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6579951 0.84 SMN1; SMN2 (0.41) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6577534 0.83 EDNRA (0.36) BRS3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580198 0.82 EDNRA (0.44) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL8784081 0.82 MAPK1 (0.41) BRS3KDM4EALDH1A1HPGDSMN1; SMN2

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 disclosed