SCHEMBL13743136

SCHEMBL13743136

Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.61
CA9 Q16790 16/20 0.61
CA12 O43570 15/20 0.61
CA1 P00915 13/20 0.59
CA14 Q9ULX7 7/20 0.59
KDM4E B2RXH2 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
PIK3CD O00329 1/20 0.50
CA4 P22748 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AGO2 Q9UKV8 1/20 0.48
VRK2 Q86Y07 1/20 0.48

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
SCHEMBL2643602 0.84 KDM4E (0.67) CA2CA9CA12CA1CA14
SCHEMBL4488979 0.83 MAP4K4 (0.54) KDM4EMKNK1MKNK2PIK3CD
SCHEMBL30337416 0.81 PIK3CD (0.70) KDM4EMKNK1MKNK2PIK3CD
SCHEMBL12077575 0.80 GAA (0.52) KDM4EMKNK1MKNK2PIK3CD
SCHEMBL29740321 0.78 PIK3CD (0.73) KDM4EMKNK1MKNK2PIK3CD
SCHEMBL1257460 0.78 PIK3CD (0.73) KDM4EMKNK1MKNK2PIK3CD
SCHEMBL17680465 0.77 CA2 (0.55) CA2CA9CA12CA1CA14
SCHEMBL12138122 0.75 IKBKB (0.46) CA2CA9CA12CA1CA14
SCHEMBL1422276 0.75 CA2 (0.72) CA2CA9CA12CA1CA14
SCHEMBL2496721 0.74 CA2 (1.00) CA2CA9CA12CA1CA14

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-2009096198-A1 NOVEL BIARYL DERIVATIVE PHARMA IP LIMITED LIABILITY INTERMEDIARY CORPORATIONS (JP) 2009-08-06 WO disclosed