SCHEMBL5560972

SCHEMBL5560972

COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Nc2ncc(C(=O)c3ccccc3C)s2)c1.Cc1ccccc1C(=O)c1csc(Nc2cccc(N)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALPL P05186 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BLK P51451 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
SCHEMBL5554602 0.93 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5555031 0.91 MEN1 (0.42) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5398193 0.89 MEN1 (0.53) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5554708 0.88 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5554668 0.87 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5555370 0.86 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5559000 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5554586 0.85 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5559335 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14ALPL
SCHEMBL5559745 0.84 MAPK13 (0.49) 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