SCHEMBL6807422

SCHEMBL6807422

NC(=O)c1cccc2nc(-c3cnn(-c4ccc(Cl)cc4Cl)c3C(F)(F)F)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 14/20 0.39
FLT3 P36888 1/20 0.37
PARP1 P09874 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6802788 0.90 PARP1 (0.41) MALT1FLT3PARP1
SCHEMBL6804448 0.86 GRM2 (0.38) PARP1ALDH1A1CNR1CNR2
SCHEMBL6807418 0.86 PARP1 (0.53) PARP1
SCHEMBL6804463 0.78 FLT3 (0.42) FLT3PARP1ALDH1A1
SCHEMBL10850115 0.77 ALDH1A1 (0.46) MALT1ALDH1A1CNR1CNR2
SCHEMBL6587656 0.77 PARP1 (0.38) MALT1FLT3PARP1
SCHEMBL6802778 0.75 PARP1 (0.61) PARP1
SCHEMBL6806912 0.74 GRM2 (0.44) PARP1
SCHEMBL28451687 0.72 SIRT1 (0.50) MALT1ALDH1A1
SCHEMBL6804441 0.72 PARP1 (0.55) PARP1

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