SCHEMBL7044592

SCHEMBL7044592

NC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.44
CDK2 P24941 3/20 0.44
CCNE1 P24864 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
CNR1 P21554 9/20 0.43
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
CHEK2 O96017 2/20 0.41
FFAR1 O14842 1/20 0.39
CSNK1A1 P48729 2/20 0.39
CSNK1D P48730 2/20 0.39
CDK9 P50750 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CCNT1 O60563 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PLK4 O00444 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39

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
SCHEMBL6553466 0.84 ALOX5 (0.51) CDC7DBF4CNR1DPP4DPP8
SCHEMBL7044437 0.81 CNR1 (0.55) CNR1CNR2ALPL
SCHEMBL6552041 0.81 CNR1 (0.56) CNR1DPP4DPP8ALDH1A1MAPT
SCHEMBL7044217 0.80 CNR1 (0.57) CNR1CNR2
SCHEMBL7043324 0.79 TP53 (0.42) CNR1
SCHEMBL7041732 0.79 CNR1 (0.58) CNR1CNR2ALPL
SCHEMBL7046434 0.79 CNR1 (0.57) CNR1CNR2
SCHEMBL7045579 0.79 CNR1 (0.57) CNR1CNR2
SCHEMBL6552432 0.79 CNR1 (0.57) CNR1CNR2
SCHEMBL13722556 0.79 CDC7 (0.46) CDC7CDK2CCNE1DBF4CNR1

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-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed