SCHEMBL6804448

SCHEMBL6804448

Cc1c(-c2nc3cccc(C(N)=O)c3[nH]2)cnn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
LMNA P02545 2/20 0.38
PARP1 P09874 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 5/20 0.36
CNR2 P34972 2/20 0.36
SCN9A Q15858 1/20 0.36
GUSB P08236 1/20 0.35
CD38 P28907 1/20 0.35
PPARA Q07869 1/20 0.35
BTK Q06187 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL6806912 0.86 GRM2 (0.44) GRM2PARP1FGFR1FGFR2FGFR3
SCHEMBL6807422 0.86 MALT1 (0.39) PARP1ALDH1A1CNR1CNR2
SCHEMBL6804441 0.85 PARP1 (0.55) PARP1
SCHEMBL6810590 0.81 GRM2 (0.54) GRM2LMNAPARP1ALDH1A1
SCHEMBL6807476 0.79 GRM2 (0.44) GRM2PARP1ALDH1A1BTKFGFR1
SCHEMBL6802788 0.76 PARP1 (0.41) PARP1FGFR1FGFR2FGFR3
SCHEMBL6587569 0.75 PARP1 (0.39) LMNAPARP1CNR1PPARABTK
SCHEMBL6801942 0.72 MAPT (0.40) LMNAPARP1ALDH1A1BTKNPSR1
SCHEMBL6807418 0.72 PARP1 (0.53) PARP1
SCHEMBL6807497 0.71 F7 (0.43) GRM2PARP1GUSB

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