SCHEMBL7928886

SCHEMBL7928886

Cc1cccc(S(=O)(=O)C(C)C2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
USP30 Q70CQ3 3/20 0.46
STS P08842 1/20 0.43
EPHX2 P34913 2/20 0.42
KAT6A Q92794 1/20 0.42
KAT5 Q92993 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MMP13 P45452 1/20 0.41
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.40
HTR6 P50406 1/20 0.40
SFRP1 Q8N474 2/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL7921618 0.89 USP30 (0.49) GPR119USP30STSBCHEHTR6
SCHEMBL2189813 0.87 CACNA1B (0.52) GPR119USP30STSSFRP1TGFBR1
SCHEMBL7921625 0.80 GPR119 (0.48) GPR119USP30KAT6AKAT5MEN1
SCHEMBL2322336 0.79 GPR119 (0.50) GPR119USP30KAT6AKAT5MEN1
SCHEMBL2322344 0.79 GPR119 (0.50) GPR119USP30KAT6AKAT5MEN1
SCHEMBL2322341 0.79 GPR119 (0.50) GPR119USP30KAT6AKAT5MEN1
SCHEMBL17942540 0.76 GPR119 (0.56) GPR119STSMMP13TGFBR1
SCHEMBL3031564 0.76 CACNA1B (0.52) STSTGFBR1
SCHEMBL3035925 0.75 CACNA1B (0.62) GPR119STSMMP13TGFBR1
SCHEMBL21626630 0.74 GPR119 (0.60) GPR119STSEPHX2MMP13MEN1

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-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed