SCHEMBL5559636

SCHEMBL5559636

Cc1ccccc1C(=O)c1cnc(Nc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)s1.Cc1ccccc1C(=O)c1csc(Nc2cccc(N)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
MAPK14 Q16539 2/20 0.50
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM1A O60341 1/20 0.39
KMO O15229 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5559745 0.89 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL5395291 0.89 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL5554586 0.88 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554668 0.88 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5554708 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5559225 0.85 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5554602 0.84 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5398224 0.83 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL5555370 0.83 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560972 0.82 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MEN1

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