SCHEMBL28844211

SCHEMBL28844211

NS(=O)(=O)c1cccc(-c2cncc(-c3cscn3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
CA9 Q16790 8/20 0.45
CA2 P00918 8/20 0.44
CA1 P00915 7/20 0.44
CA12 O43570 6/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
KAT6A Q92794 1/20 0.44
LRRK2 Q5S007 5/20 0.43
PTGES2 Q9H7Z7 1/20 0.41
CA13 Q8N1Q1 1/20 0.40
ALPL P05186 2/20 0.39
TTK P33981 1/20 0.38

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
SCHEMBL3674154 0.88 KAT6A (0.53) CDK8CA9CA2CA1CA12
SCHEMBL28145286 0.80 CA9 (0.58) CDK8CA9CA2CA1CA12
SCHEMBL28145358 0.74 CYP2A6 (0.49) CDK8CA9CA2CA1CA12
SCHEMBL28844052 0.74 MAOA (0.60) CDK8CA9CA2CA1CA12
SCHEMBL11992658 0.74 MAOA (0.52) CDK8CA9CA2CA1CA12
SCHEMBL27999964 0.73 ALPL (0.59) CA9CA2CA1CA12CA3
SCHEMBL28282439 0.73 CA2 (0.52) CA9CA2CA1CA12CA3
SCHEMBL2561753 0.71 CDK8 (0.48) CDK8CA9CA2CA1CA12
SCHEMBL14075569 0.71 CA9 (0.70) CDK8CA9CA2CA1CA12
SCHEMBL28146304 0.71 CA9 (0.54) CDK8CA9CA2CA1CA12

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
CN-104334527-B Sulfonamide compounds and uses as tnap inhibitors 桑福德-伯纳姆医学研究院 2017-05-24 CN disclosed