SCHEMBL1127333

SCHEMBL1127333

CC(C)COC(=O)N1CCC(C(N)=S)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CHRM1 P11229 2/20 0.47
RAB9A P51151 3/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL5277037 0.91 GAA (0.48) GAACHRM1RAB9ANOS3NOS2
SCHEMBL7503009 0.84 GAA (0.75) GAACHRM1NOS3NOS2PKM
SCHEMBL5676009 0.83 RAB9A (0.55) GAACHRM1RAB9ANOS3NOS2
SCHEMBL4274531 0.81 GAA (0.49) GAACHRM1RAB9ANOS3NOS2
SCHEMBL1127244 0.81 KIT (0.42) GAARAB9ANOS3NOS2PKM
SCHEMBL793658 0.81 RAB9A (0.49) GAACHRM1RAB9ANOS3NOS2
SCHEMBL704010 0.80 RAB9A (0.51) GAACHRM1RAB9ANOS3NOS2
SCHEMBL2937884 0.80 GAA (0.46) GAACHRM1PKMCHRM2ALDH1A1
SCHEMBL794087 0.79 RAB9A (0.50) GAACHRM1RAB9ANOS3NOS2
SCHEMBL8262844 0.79 RAB9A (0.50) GAACHRM1RAB9ANOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
EP-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 WO disclosed