SCHEMBL22909286

SCHEMBL22909286

COCc1c(F)c(F)c(F)c(F)c1S(=O)(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
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
SCHEMBL29671194 1.00 F2 (0.32) F2PRSS1PRSS2PRSS3CA12
SCHEMBL29729072 0.79 CA1 (0.33) CA12CA1CA2CA7CA13
SCHEMBL22909481 0.79 CA1 (0.33) CA12CA1CA2CA7CA13
SCHEMBL22909478 0.78 HDAC6 (0.34) F2PRSS1PRSS2PRSS3CA12
SCHEMBL29671218 0.78 HDAC6 (0.34) F2PRSS1PRSS2PRSS3CA12
SCHEMBL22909271 0.76 CA1 (0.43) F2PRSS1PRSS2PRSS3CA12
SCHEMBL22909381 0.76 TSHR (0.42) CA12CA1CA2CA7CA13
SCHEMBL22909153 0.74
SCHEMBL22909594 0.72 F2 (0.38) F2PRSS1PRSS2PRSS3CA12
SCHEMBL29899443 0.72 F2 (0.38) F2PRSS1PRSS2PRSS3CA12

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