SCHEMBL8792168

SCHEMBL8792168

COc1ccc(CSc2ncn(CCc3cc4c(cc3Cl)OCO4)c2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.41
EDNRB P24530 3/20 0.41
BRS3 P32247 2/20 0.40
LMNA P02545 1/20 0.39
AURKA O14965 1/20 0.39
CSNK1E P49674 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PDE5A O76074 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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 0.91 SLC22A12 (0.42) EDNRAEDNRBBRS3LMNAAURKA
SCHEMBL8325612 0.83 LMNA (0.43) BRS3LMNAAURKACSNK1EGSK3A
SCHEMBL8792176 0.80 EDNRB (0.39) EDNRAEDNRBBRS3LMNAAURKA
SCHEMBL7501396 0.79 EDNRA (0.45) EDNRAEDNRBBRS3LMNA
SCHEMBL8434873 0.79 EDNRA (0.45) EDNRAEDNRBBRS3AURKACSNK1E
SCHEMBL6580573 0.78 BRS3 (0.42) BRS3LMNAAURKACSNK1EGSK3A
SCHEMBL3839001 0.77 EDNRA (0.45) EDNRAEDNRBBRS3AURKACSNK1E
SCHEMBL7496916 0.77 EDNRA (0.54) EDNRAEDNRBBRS3
SCHEMBL6580208 0.76 EDNRB (0.45) EDNRAEDNRBBRS3
SCHEMBL6580278 0.75 EDNRA (0.45) EDNRAEDNRB

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-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