SCHEMBL5960370

SCHEMBL5960370

O=c1cc(-c2ccc(F)cc2)c2ccc(S(=O)(=O)Nc3ncc(C(O)(C4CC4)C(F)(F)F)s3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.39
▸ SCN9A Q15858 11/20 0.39
▸ SCN5A Q14524 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ TUBB P07437 1/20 0.35
▸ MLYCD O95822 1/20 0.34

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
SCHEMBL5960294 0.89 ALOX5 (0.46) ALOX5SCN9ASCN5AKDM4EALDH1A1
SCHEMBL2979312 0.86 ALOX5 (0.41) ALOX5TUBBMLYCD
SCHEMBL2986061 0.80 ALOX5 (0.41) ALOX5KDM4ETUBBMLYCD
SCHEMBL2980039 0.79 MLYCD (0.56) ALOX5KDM4ETUBBMLYCD
SCHEMBL2989905 0.77 ALOX5 (0.39) ALOX5KDM4ETUBBMLYCD
SCHEMBL2989755 0.74 MLYCD (0.51) ALOX5KDM4EALDH1A1GLAPOLB
SCHEMBL5005164 0.72 MIF (0.42) SCN9AKDM4EALDH1A1GLAPOLB
SCHEMBL2975435 0.71 ALOX5 (0.51) ALOX5KDM4EALDH1A1MLYCD
SCHEMBL2985984 0.71 ALOX5 (0.39) ALOX5KDM4ETUBBMLYCD
SCHEMBL2986064 0.69 MLYCD (0.54) ALOX5KDM4ETUBBMLYCD

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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