SCHEMBL31124352

SCHEMBL31124352

CC(C)(C)OC(=O)NCCCSc1c(F)c(F)c(C(=O)O)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL31124422 0.96 TDP1 (0.47) MEN1KMT2AGAATDP1LMNA
SCHEMBL31124399 0.91 TDP1 (0.50) MEN1KMT2AGAATDP1LMNA
SCHEMBL31124428 0.89 MAOA (0.45) MEN1KMT2AGAATDP1LMNA
SCHEMBL31124488 0.85 MAOA (0.47) MEN1KMT2AGAATDP1LMNA
SCHEMBL31124376 0.83 TDP1 (0.46) MEN1KMT2AGAATDP1LMNA
SCHEMBL31124384 0.80 TDP1 (0.48) MEN1KMT2AGAATDP1LMNA
SCHEMBL31124347 0.79 TDP1 (0.45) MEN1KMT2AGAATDP1LMNA
SCHEMBL20595128 0.74 PPARA (0.48) HTTIDO1
SCHEMBL20595126 0.74 PPARA (0.48) HTTIDO1
SCHEMBL14558708 0.74 GAA (0.51) MEN1KMT2AGAATDP1LMNA

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