Sugi Predict

Sugi Predict / Compounds / SCHEMBL5554746

SCHEMBL5554746

SCHEMBL5554746

Cc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)s1.Cc1ccccc1C(=O)c1csc(Nc2ccc(N)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 5/20 0.45
▸ MAPK12 P53778 5/20 0.45
▸ MAPK11 Q15759 5/20 0.45
▸ MAPK14 Q16539 5/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 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
SCHEMBL5560802 0.94 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5554647 0.92 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5555370 0.91 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5559229 0.90 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5560777 0.90 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5559998 0.90 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5401470 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5555031 0.86 MEN1 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559000 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560080 0.85 MAPK13 (0.42) 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