SCHEMBL5960294

SCHEMBL5960294

O=c1cc(-c2ccc(F)cc2)c2ccc(S(=O)(=O)Nc3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.46
▸ MLYCD O95822 2/20 0.44
▸ PKM P14618 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ SCN9A Q15858 6/20 0.37
▸ SCN5A Q14524 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL5960370 0.89 ALOX5 (0.39) ALOX5MLYCDPKMKDM4EALDH1A1
SCHEMBL2989755 0.85 MLYCD (0.51) ALOX5MLYCDPKMKDM4EALDH1A1
SCHEMBL1897000 0.80 MLYCD (0.49) MLYCDPKMALDH1A1GAA
SCHEMBL2984808 0.78 ALOX5 (0.48) ALOX5MLYCDTUBBCA12CA9
SCHEMBL5005112 0.78 ALOX5 (0.48) ALOX5MLYCDTUBBCA12CA9
SCHEMBL2991946 0.77 MLYCD (0.71) ALOX5MLYCDTUBBCA12CA9
SCHEMBL15215299 0.76 ALOX5 (0.56) ALOX5MLYCDTUBBCA12CA9
SCHEMBL2975435 0.75 ALOX5 (0.51) ALOX5MLYCDKDM4EALDH1A1CA12
SCHEMBL15215291 0.74 ALOX5 (0.54) ALOX5MLYCD
SCHEMBL2979312 0.74 ALOX5 (0.41) ALOX5MLYCDTUBBCA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 — — EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 — — WO disclosed
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