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SCHEMBL5559808

SCHEMBL5559808

Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Nc3ncc(C(=O)c4ccccc4C)s3)cc2)c1.Cc1ccccc1C(=O)c1cnc(Nc2ccc(CN)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK13 O15264 7/20 0.42
▸ MAPK12 P53778 7/20 0.42
▸ MAPK11 Q15759 7/20 0.42
▸ MAPK14 Q16539 7/20 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
SCHEMBL5393290 0.96 HTT (0.47) HTTSMN1; SMN2TSHRMAPK13MAPK12
SCHEMBL5560863 0.93 MAPK13 (0.46) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559831 0.92 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554593 0.92 MAPK13 (0.44) SMN1; SMN2TSHRMAPK13MAPK12MAPK11
SCHEMBL5404417 0.89 TSHR (0.47) SMN1; SMN2TSHRMAPK13MAPK12MAPK11
SCHEMBL5403248 0.88 MAPK13 (0.49) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554614 0.88 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5404299 0.88 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5561223 0.87 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559458 0.85 MAPK13 (0.47) 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