SCHEMBL22909363

SCHEMBL22909363

O=S(=O)(NI)c1c(O)c(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.50
CA2 P00918 11/20 0.50
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
STAT3 P40763 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL29899461 0.84 CA1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL22909458 0.83 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL352595 0.73 CA1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL23409112 0.71 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL29671223 0.71 CA1 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL24459976 0.71 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL29671269 0.71 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL22909432 0.71 CA1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL28388482 0.70 CA1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL2347469 0.69 CA1 (0.71) CA1CA2MMP1MMP2MMP9

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-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed