SCHEMBL31124503

SCHEMBL31124503

CC(C)(C)OC(=O)Nc1c(F)c(F)c(S(C)(=O)=O)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.39
▸ CA12 O43570 5/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ATR Q13535 1/20 0.36
▸ CTSS P25774 1/20 0.34
▸ CA14 Q9ULX7 4/20 0.33
▸ CA7 P43166 2/20 0.33
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL31290291 0.84 CTSS (0.42) CA1CA2ATRCTSSLMNA
SCHEMBL20865565 0.81 ATR (0.40) CA1CA2ATRCTSSLMNA
SCHEMBL31124393 0.75 ATR (0.37) CA1CA2ATRCTSSLMNA
SCHEMBL31124495 0.75 CA1 (0.42) CA1CA12CA2CA9CTSS
SCHEMBL31124321 0.75 ATR (0.41) CA1CA12CA9ATRCTSS
SCHEMBL28475336 0.73 PRMT1 (0.40) CA1CA2ATRCTSSMEN1
SCHEMBL31124334 0.73 TDP1 (0.46) CA1CA12CA2CA9CTSS
SCHEMBL6124199 0.72 MEN1 (0.43) CA1CA2ATRCTSSLMNA
SCHEMBL4395627 0.71 ALDH1A1 (0.44) ATRLMNAPOLBCYP17A1SYK
SCHEMBL6124198 0.71 ATR (0.36) CA1CA2ATRCTSSLMNA

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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