SCHEMBL1127578

SCHEMBL1127578

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CYP2D6 P10635 2/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
RAB9A P51151 1/20 0.38
KIT P10721 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM1 P11229 1/20 0.34
RORC P51449 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL3663186 0.81 CYP2D6 (0.42) GAACYP2D6JAK2JAK1RAB9A
SCHEMBL1127244 0.80 KIT (0.42) GAARAB9AKITNOS3NOS2
SCHEMBL1127333 0.78 GAA (0.54) GAAJAK2JAK1RAB9ANOS3
SCHEMBL26705610 0.76 RORC (0.39) CYP2D6JAK2JAK1RAB9AKIT
SCHEMBL4074787 0.75 RAB9A (0.41) CYP2D6JAK2JAK1RAB9AKIT
SCHEMBL11392707 0.74 GAA (0.45) GAARAB9AKITNOS3NOS2
SCHEMBL1118079 0.74 USP2 (0.47) HPGDHDAC2
SCHEMBL26705603 0.74 RAB9A (0.40) CYP2D6JAK2JAK1RAB9AKIT
SCHEMBL1692873 0.73 CYP2D6 (0.44) CYP2D6JAK2JAK1RAB9AKIT
SCHEMBL14247147 0.73 RORC (0.38) CYP2D6JAK2JAK1RAB9AKIT

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 4 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
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed