SCHEMBL5554593

SCHEMBL5554593

Cc1ccc(C)c(S(=O)(=O)NCc2cccc(Nc3ncc(C(=O)c4ccccc4C)s3)c2)c1.Cc1ccccc1C(=O)c1cnc(Nc2cccc(CN)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL5404417 0.96 TSHR (0.47) MAPK13MAPK12MAPK11MAPK14TSHR
SCHEMBL5559458 0.94 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5555330 0.92 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5559808 0.92 HTT (0.43) MAPK13MAPK12MAPK11MAPK14TSHR
SCHEMBL5388373 0.89 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554186 0.89 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5393468 0.88 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5393290 0.88 HTT (0.47) MAPK13MAPK12MAPK11MAPK14TSHR
SCHEMBL5559228 0.86 ALDH1A1 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5554742 0.86 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14NPC1

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