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SCHEMBL5560080

SCHEMBL5560080

Cc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)s1.Cc1ccccc1C(=O)c1csc(Nc2ccc(N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 7/20 0.42
▸ MAPK12 P53778 7/20 0.42
▸ MAPK11 Q15759 7/20 0.42
▸ MAPK14 Q16539 7/20 0.42
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL5398558 0.89 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5554647 0.86 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560777 0.85 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554746 0.85 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560802 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554634 0.84 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5559335 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559229 0.82 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5555031 0.82 MEN1 (0.42) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5559998 0.82 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14

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