SCHEMBL29355206

SCHEMBL29355206

CC(C)(C)OC(=O)NC1(c2ccc(N)cc2CS(C)(=O)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
GPR119 Q8TDV5 1/20 0.33
CA1 P00915 10/20 0.33
CA2 P00918 9/20 0.33
CA12 O43570 7/20 0.33
CA9 Q16790 7/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 1/20 0.33
RORC P51449 1/20 0.32
NQO2 P16083 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
APLNR P35414 1/20 0.31
ALOX15 P16050 1/20 0.31
CA4 P22748 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL19742778 0.83 L3MBTL1 (0.33) CA1CA2
SCHEMBL19754003 0.82 NR1H2 (0.34) NR1H2
SCHEMBL29355972 0.79 MAPK1 (0.35) NR1H2GPR119CA1CA2CA12
SCHEMBL19742673 0.78 PPIA (0.33) NR1H2GPR119CA1CA2CA12
SCHEMBL29357526 0.78 PPIA (0.33) NR1H2GPR119CA1CA2CA12
SCHEMBL29357460 0.76 KDM4A (0.41) CA1CA2CA12CA9CA7
SCHEMBL4087871 0.74 AKT1 (0.43) NR1H2RORCALOX15
SCHEMBL25156176 0.74 HDAC4 (0.46) CA1CA12CA7CA14APLNR
SCHEMBL30344367 0.74 HDAC4 (0.46) CA1CA12CA7CA14APLNR
SCHEMBL29356515 0.73 MAPT (0.41) CA1CA2CA9CA7ALOX15

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
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed