SCHEMBL22909465

SCHEMBL22909465

CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1NCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA9 Q16790 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL24459969 0.83 CA1 (0.35) CA12CA1CA2CA7CA13
SCHEMBL29671290 0.79 CA12 (0.33) CA12CA1CA2CA7CA13
SCHEMBL22909293 0.77 CA1 (0.35) CA12CA1CA2CA7CA13
SCHEMBL29671277 0.77 CA1 (0.35) CA12CA1CA2CA7CA13
SCHEMBL22909392 0.74 CA2 (0.53) CA12CA1CA2CA7CA13
SCHEMBL22909578 0.74 CA2 (0.61) CA12CA1CA2CA7CA13
SCHEMBL29671317 0.74 CA2 (0.53) CA12CA1CA2CA7CA13
SCHEMBL22909271 0.73 CA1 (0.43) CA12CA1CA2CA7CA13
SCHEMBL22909364 0.72 CA2 (0.54) CA12CA1CA2CA7CA13
SCHEMBL24458131 0.69 CA1 (0.33) CA12CA1CA2CA7CA13

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