SCHEMBL5554490

SCHEMBL5554490

COc1ccc(S(=O)(=O)NCc2ccc(Nc3ncc(C(=O)c4ccccc4C)s3)cc2)cc1.Cc1ccccc1C(=O)c1cnc(Nc2ccc(CN)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.55
MAPK12 P53778 2/20 0.55
MAPK11 Q15759 2/20 0.55
MAPK14 Q16539 2/20 0.55
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 2/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL5388774 0.96 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5560593 0.90 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5554671 0.90 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5401571 0.89 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5393308 0.89 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5560863 0.87 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5393291 0.86 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5394382 0.86 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559190 0.86 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5393298 0.85 MAPK13 (0.64) 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