SCHEMBL9941171

SCHEMBL9941171

NS(=O)(=O)c1cccc(O)c1S(N)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.61
STAT3 P40763 1/20 0.53
CA2 P00918 13/20 0.47
CA1 P00915 9/20 0.47
CA9 Q16790 7/20 0.47
CA6 P23280 3/20 0.46
CA12 O43570 3/20 0.46
CA5A P35218 3/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CYP2C9 P11712 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LDHA P00338 1/20 0.45
MAPK1 P28482 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL27676781 0.87 CDK2 (0.57) CDK2STAT3CA2CA1CA9
SCHEMBL6808438 0.85 CDK2 (0.52) CDK2STAT3CA2CA1CA9
SCHEMBL28301094 0.81 CDK2 (0.50) CDK2STAT3CA2CA1CA9
SCHEMBL5518503 0.79 CDK2 (0.63) CDK2STAT3CA2CA1CA9
SCHEMBL184251 0.78 CDK2 (0.61) CDK2STAT3CA2CA1CA9
SCHEMBL29965023 0.78 CDK2 (0.61) CDK2STAT3CA2CA1CA9
SCHEMBL2542148 0.77 CA2 (0.64) CDK2STAT3CA2CA1CA9
SCHEMBL9584262 0.77 ALOX15 (0.48) CDK2STAT3CA2CA1CA9
SCHEMBL635927 0.77 CDK2 (0.61) CDK2STAT3CA2CA1CA9
SCHEMBL29401806 0.76 CDK2 (1.00) CDK2STAT3CA2CA1CA9

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-2012082409-A1 PROCESS OF PRODUCING CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-06-21 WO disclosed