SCHEMBL15085579

SCHEMBL15085579

CNC(=O)c1cc(C#N)cc(C)c1NC(=O)C1CC(c2c([N+](=O)[O-])cccc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
MALT1 Q9UDY8 2/20 0.32
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15085585 0.93 MALT1 (0.35) GRM5MALT1TP53MAPTALDH1A1
SCHEMBL15085532 0.91 MALT1 (0.32) GRM5MALT1TP53MAPT
SCHEMBL15085560 0.89 SMN1; SMN2 (0.32) GRM5MALT1TP53MAPTALDH1A1
SCHEMBL15085554 0.88 MALT1 (0.35) MALT1TP53MAPT
SCHEMBL1148420 0.87 F2 (0.35) GRM5MALT1MAPTALDH1A1
SCHEMBL15085542 0.84 MALT1 (0.35) MALT1TP53MAPTALDH1A1
SCHEMBL15085543 0.84 MALT1 (0.35) MALT1TP53MAPTALDH1A1
SCHEMBL15085539 0.84 MALT1 (0.35) MALT1
SCHEMBL15085622 0.84 MALT1 (0.34) MALT1TP53MAPTALDH1A1
SCHEMBL15085541 0.83 MALT1 (0.36) MALT1TP53

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-8481744-B2 Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-07-09 US disclosed