SCHEMBL5559339

SCHEMBL5559339

Cc1ccccc1C(=O)c1cnc(Nc2cccc(CN)c2)s1.Cc1ccccc1C(=O)c1cnc(Nc2cccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51
CYP19A1 P11511 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
PDE4B Q07343 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
SCHEMBL5404354 0.96 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL5560310 0.94 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL5394404 0.90 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL5400916 0.88 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5559458 0.87 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5559010 0.86 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5398153 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL5401571 0.84 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL5554593 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5554186 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14AURKA

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