SCHEMBL5559998

SCHEMBL5559998

Cc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)s1.Cc1ccccc1C(=O)c1csc(Nc2ccc(N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.43
MAPK12 P53778 6/20 0.43
MAPK11 Q15759 6/20 0.43
MAPK14 Q16539 6/20 0.43
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5559229 0.92 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5559745 0.91 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL5559823 0.90 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5554746 0.90 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5560802 0.89 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5400927 0.89 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554634 0.87 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5560777 0.87 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5554647 0.87 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5560168 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14CCNA2

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
EP-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP disclosed