SCHEMBL6806378

SCHEMBL6806378

NC(=O)c1cccc2[nH]c(-c3ccn(-c4ccc(Cl)cc4[N+](=O)[O-])c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.57
PKN1 Q16512 2/20 0.47
PKN2 Q16513 2/20 0.47
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
PIM1 P11309 1/20 0.47
PHKG2 P15735 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
PRKX P51817 1/20 0.47
PRKCZ Q05513 1/20 0.47

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
SCHEMBL6587178 0.87 PARP1 (0.41) PARP1PKN1PKN2CHEK2
SCHEMBL6806385 0.86 CHEK2 (0.40) PARP1CHEK2
SCHEMBL7480129 0.85 MGAM (0.52) PARP1PKN1PKN2PARP2
SCHEMBL6807108 0.81 PARP1 (0.71) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6804750 0.80 PARP1 (0.57) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6807298 0.74 PARP1 (0.60) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL29412056 0.74 PARP1 (1.00) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL3341660 0.73 PARP1 (1.00) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL6801829 0.73 AURKB (0.60) PARP1PKN1PKN2PLK4MAPK13
SCHEMBL30823383 0.72 PARP1 (0.78) PARP1PKN1PKN2PLK4MAPK13

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed