SCHEMBL28145248

SCHEMBL28145248

N#Cc1ccc(-c2cncc(-c3cccc(S(N)(=O)=O)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.64
CA2 P00918 7/20 0.64
CA1 P00915 6/20 0.64
CA13 Q8N1Q1 3/20 0.64
CA12 O43570 4/20 0.56
PTGES2 Q9H7Z7 2/20 0.55
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CYP11B2 P19099 1/20 0.48
LRRK2 Q5S007 2/20 0.47
KAT6A Q92794 1/20 0.45
CDK8 P49336 1/20 0.45
TTK P33981 2/20 0.44

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
SCHEMBL28844052 0.82 MAOA (0.60) CA9CA2CA1CA12MAOB
SCHEMBL28145245 0.78 KIF11 (0.56) CA9CA2CA1CA12PTGES2
SCHEMBL31287698 0.76 CA2 (0.57) CA9CA2CA1CA13CA12
SCHEMBL28163875 0.76 CA2 (0.57) CA9CA2CA1CA13CA12
SCHEMBL11992658 0.76 MAOA (0.52) CA9CA2CA1CA13CA12
SCHEMBL28032548 0.75 CA2 (0.73) CA9CA2CA1CA13CA12
SCHEMBL28145286 0.74 CA9 (0.58) CA9CA2CA1CA13CA12
SCHEMBL22507033 0.73 MMP3 (0.56) CA9CA2CA1CA12CYP11B2
SCHEMBL2561753 0.73 CDK8 (0.48) CA9CA2CA1CA13CA12
SCHEMBL14075569 0.73 CA9 (0.70) CA9CA2CA1CA13CA12

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