SCHEMBL29411973

SCHEMBL29411973

Cc1ccccc1-c1nc2c(C(N)=O)cccc2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
PARP1 P09874 4/20 0.49
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
FBP1 P09467 1/20 0.43
CASR P41180 1/20 0.43
CD38 P28907 1/20 0.42

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
SCHEMBL28479697 1.00 PPARG (0.50) PPARGPARP1PKN1PKN2FBP1
SCHEMBL28494472 0.88 PARP1 (0.49) PPARGPARP1PKN1PKN2FBP1
SCHEMBL28903065 0.87 CASR (0.47) PPARGPARP1PKN1PKN2CASR
SCHEMBL29412030 0.87 CASR (0.47) PPARGPARP1PKN1PKN2CASR
SCHEMBL29412017 0.85 PKN1 (0.56) PARP1PKN1PKN2FBP1
SCHEMBL28487665 0.85 PKN1 (0.56) PARP1PKN1PKN2FBP1
SCHEMBL29412060 0.84 PKN1 (0.54) PPARGPARP1PKN1PKN2
SCHEMBL28487660 0.83 TP53 (0.61) PPARGPARP1PKN1PKN2CD38
SCHEMBL29412071 0.83 TP53 (0.61) PPARGPARP1PKN1PKN2CD38
SCHEMBL28478408 0.81 ALDH1A1 (0.58) PPARGPARP1PKN1PKN2FBP1

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
WO-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 WO disclosed