SCHEMBL31124495

SCHEMBL31124495

CC(C)(C)OC(=O)NCCc1c(F)c(F)c(S(C)(=O)=O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.42
▸ CA2 P00918 8/20 0.42
▸ CA12 O43570 6/20 0.42
▸ CA9 Q16790 6/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL31124334 0.92 TDP1 (0.46) CA1CA2CA12CA9TDP1
SCHEMBL31124333 0.82 TDP1 (0.43) CA1CA2CA12CA9TDP1
SCHEMBL31124368 0.79 HTT (0.50) CA1CA2TDP1HTTNPSR1
SCHEMBL4666845 0.78 HTT (0.46) TDP1HTTNPSR1NQO2ALDH1A1
SCHEMBL31124503 0.75 CA1 (0.39) CA1CA2CA12CA9MEN1
SCHEMBL31124291 0.73 TDP1 (0.49) CA1CA2CA12CA9TDP1
SCHEMBL8293454 0.72 NQO2 (0.51) CA1CA2CA12CA9TDP1
SCHEMBL31124464 0.71 HTT (0.48) CA1CA2CA12CA9TDP1
SCHEMBL22452382 0.71 TDP1 (0.45) CA1CA2CA12CA9TDP1
SCHEMBL28210550 0.70 TDP1 (0.70) CA1CA2CA12CA9TDP1

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-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 — — WO disclosed
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