SCHEMBL4570288

SCHEMBL4570288

COc1ccc(-c2sc(S(N)(=O)=O)c(C(=O)Nc3ncc(Br)s3)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.46
CSNK2A2 P19784 3/20 0.44
CSNK2A1 P68400 3/20 0.44
GRM6 O15303 1/20 0.42
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 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
SCHEMBL4569970 0.89 FBP1 (0.57) FBP1PKMLMNANPC1RAB9A
SCHEMBL957339 0.87 FBP1 (0.60) FBP1MAPT
SCHEMBL959480 0.84 FBP1 (0.56) FBP1CSNK2A2CSNK2A1PKMLMNA
SCHEMBL4566925 0.82 FBP1 (0.51) FBP1CSNK2A2CSNK2A1PKMLMNA
SCHEMBL4570269 0.80 FBP1 (0.60) FBP1PKMLMNANPC1RAB9A
SCHEMBL4570117 0.78 FBP1 (0.56) FBP1PKMLMNANPC1RAB9A
SCHEMBL959968 0.77 FBP1 (0.56) FBP1PKMLMNANPC1RAB9A
SCHEMBL4570506 0.77 FBP1 (0.56) FBP1PKMLMNANPC1RAB9A
SCHEMBL4570017 0.75 FBP1 (0.57) FBP1PKMLMNANPC1RAB9A
SCHEMBL957758 0.74 FBP1 (0.54) FBP1

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-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed