SCHEMBL28487665

SCHEMBL28487665

NC(=O)c1cccc2c1nc(-c1ccccc1)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
ALDH1A1 P00352 3/20 0.55
PDE6D O43924 2/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
PARP1 P09874 6/20 0.53
TP53 P04637 3/20 0.48
MAPT P10636 1/20 0.47
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
FBP1 P09467 2/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL29412017 1.00 PKN1 (0.56) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL29412060 0.93 PKN1 (0.54) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL28478408 0.93 ALDH1A1 (0.58) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL29412071 0.92 TP53 (0.61) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL28487660 0.92 TP53 (0.61) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL28484147 0.92 PARP1 (0.51) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL29411964 0.92 PARP1 (0.51) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL28487655 0.91 ALDH1A1 (0.50) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL29411936 0.91 ALDH1A1 (0.50) PKN1PKN2ALDH1A1PDE6DALDH2
SCHEMBL29412051 0.90 ALDH1A1 (0.48) PKN1PKN2ALDH1A1PDE6DALDH2

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
CN-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 CN disclosed
CN-111978301-A Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2020-11-24 CN disclosed