SCHEMBL31124359

SCHEMBL31124359

C[S+]([O-])c1c(F)c(F)c(CCCNC(=O)OC(C)(C)C)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA1 P00915 9/20 0.41
▸ CA2 P00918 9/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CA12 O43570 6/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ HTT P42858 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL31124464 0.79 HTT (0.48) TDP1GAAMEN1KMT2ACA1
SCHEMBL31124334 0.78 TDP1 (0.46) TDP1GAAMEN1KMT2ACA1
SCHEMBL31124333 0.76 TDP1 (0.43) TDP1GAAMEN1KMT2ACA1
SCHEMBL30660385 0.71 CA1 (0.44) TDP1GAAMEN1KMT2ACA1
SCHEMBL11929438 0.71 TDP1 (0.51) TDP1GAAMEN1KMT2ACA1
SCHEMBL31124368 0.70 HTT (0.50) TDP1GAAMEN1KMT2ACA1
SCHEMBL3020258 0.70 TDP1 (0.81) TDP1GAAMEN1KMT2ACA1
SCHEMBL569251 0.70 TDP1 (0.74) TDP1GAAMEN1KMT2ACA1
SCHEMBL4666845 0.70 HTT (0.46) TDP1GAAMEN1KMT2AMAOA
SCHEMBL31124495 0.69 CA1 (0.42) TDP1GAAMEN1KMT2ACA1

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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