SCHEMBL14242833

SCHEMBL14242833

CCc1cnc(S(C)(=O)=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.53
▸ NOS1 P29475 1/20 0.53
▸ NOS2 P35228 1/20 0.53
▸ DHFR P00374 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIP5K1C O60331 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL18594441 0.85 NOS3 (0.40) NOS3NOS1NOS2DHFRLMNA
SCHEMBL14243224 0.79 NOS3 (0.43) NOS3NOS1NOS2LMNAPIK3CD
SCHEMBL14242832 0.79 NOS3 (0.35) NOS3NOS1NOS2DHFRNR1H2
SCHEMBL12186144 0.77 ACHE (0.37) LMNAGPR119
SCHEMBL16909317 0.76 NOS3 (0.32) NOS3NOS1NOS2NR1H2NR1H3
SCHEMBL16909250 0.76 NOS3 (0.39) NOS3NOS1NOS2DHFRPIK3CD
SCHEMBL1458885 0.74 GAA (0.32) LMNAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL19931370 0.74 GPR119 (0.33) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL27935057 0.74 PIK3CD (0.31) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL3257964 0.74 UHRF1 (0.52) NOS3NOS1NOS2LMNAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170867-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 — — WO disclosed
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