SCHEMBL6580124

SCHEMBL6580124

COc1ccc(CSc2nc(-c3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRS3 P32247 1/20 0.40
AURKA O14965 1/20 0.39
CSNK1E P49674 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
EDNRB P24530 2/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN9A Q15858 1/20 0.37
TP53 P04637 3/20 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
SCHEMBL8433819 0.89 BRS3 (0.43) MEN1KMT2ABRS3AURKACSNK1E
SCHEMBL6581992 0.88 MEN1 (0.42) MEN1KMT2ABRS3SMN1; SMN2TDP1
SCHEMBL6580208 0.88 EDNRB (0.45) BRS3EDNRBTP53EDNRA
SCHEMBL6580022 0.87 BRS3 (0.43) MEN1KMT2ABRS3AURKACSNK1E
SCHEMBL6580054 0.87 BRS3 (0.39) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL8330624 0.85 EDNRB (0.40) KMT2ABRS3EDNRBMAPTLMNA
SCHEMBL8785847 0.82 BRS3 (0.42) MEN1KMT2ABRS3AURKACSNK1E
SCHEMBL3839001 0.80 EDNRA (0.45) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL6580573 0.79 BRS3 (0.42) MEN1KMT2ABRS3AURKACSNK1E
SCHEMBL8434873 0.79 EDNRA (0.45) MEN1KMT2ABRS3AURKACSNK1E

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 4 patents. 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
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed
EP-0804435-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-11-05 EP disclosed
WO-1996004275-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed