SCHEMBL6580573

SCHEMBL6580573

COc1ccc(CSc2ncn(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.42
SLC29A1 Q99808 2/20 0.41
AURKA O14965 1/20 0.40
CSNK1E P49674 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 1/20 0.39
SLC22A12 Q96S37 1/20 0.37
PDE5A O76074 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6580558 0.85 SLC22A12 (0.42) BRS3SLC29A1AURKACSNK1EGSK3A
SCHEMBL8325612 0.84 LMNA (0.43) BRS3SLC29A1AURKACSNK1EGSK3A
SCHEMBL8433819 0.83 BRS3 (0.43) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL6580022 0.83 BRS3 (0.43) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL6580124 0.79 MEN1 (0.41) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL6580054 0.78 BRS3 (0.39) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL8792168 0.78 EDNRA (0.41) BRS3SLC29A1AURKACSNK1EGSK3A
SCHEMBL8785847 0.78 BRS3 (0.42) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL3839001 0.77 EDNRA (0.45) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL7501699 0.74 LMNA (0.38) BRS3AURKACSNK1EGSK3AGSK3B

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 2 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