SCHEMBL15085541

SCHEMBL15085541

CNC(=O)c1cc(C#N)cc(C)c1NC(=O)C1CC(c2cc(S(=O)(=O)O)ccn2)=NN1c1ncccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 6/20 0.36
PPARG P37231 1/20 0.32
TYK2 P29597 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
GPR6 P46095 2/20 0.30
MTOR P42345 1/20 0.30
RPTOR Q8N122 1/20 0.30
MLST8 Q9BVC4 1/20 0.30
TP53 P04637 1/20 0.30
TNF P01375 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL15085590 0.92 MALT1 (0.39) MALT1TP53
SCHEMBL15085554 0.88 MALT1 (0.35) MALT1TYK2MTORRPTORMLST8
SCHEMBL15085539 0.88 MALT1 (0.35) MALT1TYK2MTORRPTORMLST8
SCHEMBL9290062 0.85 MALT1 (0.40) MALT1TYK2GPR6TNFIRAK4
SCHEMBL1148490 0.84 MALT1 (0.40) MALT1TYK2GPR6TNFIRAK4
SCHEMBL1148434 0.83 MALT1 (0.35) MALT1PPARGTYK2GPR6
SCHEMBL902832 0.83 MALT1 (0.39) MALT1PPARGTYK2TNFIRAK4
SCHEMBL15085579 0.83 GRM5 (0.35) MALT1TP53
SCHEMBL15085560 0.83 SMN1; SMN2 (0.32) MALT1TP53
SCHEMBL15085598 0.82 MALT1 (0.38) 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