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SCHEMBL5560593

SCHEMBL5560593

Cc1ccccc1C(=O)c1cnc(Nc2ccc(CN)cc2)s1.Cc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.54
▸ MAPK13 O15264 8/20 0.54
▸ MAPK12 P53778 8/20 0.54
▸ MAPK11 Q15759 8/20 0.54
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ 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
SCHEMBL5394382 0.96 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5554671 0.92 MAPK13 (0.52) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5554490 0.90 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL5398153 0.88 MAPK13 (0.51) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5560863 0.88 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5393291 0.87 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5559190 0.87 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5554782 0.87 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5388774 0.86 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5554614 0.85 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11

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