SCHEMBL10272210

SCHEMBL10272210

CSc1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(=O)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 16/20 0.53
▸ CA1 P00915 15/20 0.53
▸ CA13 Q8N1Q1 3/20 0.53
▸ CA7 P43166 2/20 0.53
▸ CA9 Q16790 13/20 0.51
▸ GAA P10253 2/20 0.47
▸ CA12 O43570 11/20 0.44
▸ LDHA P00338 5/20 0.43
▸ LDHB P07195 5/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL10272213 0.81 CA2 (0.53) CA2CA1CA13CA7CA9
SCHEMBL10272212 0.80 CA1 (0.51) CA2CA1CA13CA7CA9
SCHEMBL10271843 0.75 GAA (0.43) GAALDHALDHBMEN1LMNA
SCHEMBL10272209 0.73 CDK7 (0.44) GAACCNA2CDK2CCNA1MEN1
SCHEMBL10272182 0.73 CA1 (0.47) CA2CA1CA13CA7CA9
SCHEMBL10272163 0.68 GAA (0.56) GAAMEN1LMNAHPGDKMT2A
SCHEMBL10466353 0.66 GAA (1.00) GAAMEN1LMNAHPGDKMT2A
SCHEMBL10271853 0.66 GAA (0.70) GAAMEN1LMNAHPGDKMT2A
SCHEMBL27888182 0.64 CA1 (0.71) CA2CA1CA7CA9CA12
SCHEMBL4861850 0.64 PTGS2 (0.47) CA2CA1CA9GAACA12

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-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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