SCHEMBL31124347

SCHEMBL31124347

CC(C)(C)OC(=O)NCCCCSc1c(F)c(F)c(C#N)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
POLB P06746 1/20 0.38
CTSS P25774 1/20 0.37
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL31124399 0.85 TDP1 (0.50) TDP1MEN1KMT2ALMNATSHR
SCHEMBL31124422 0.83 TDP1 (0.47) TDP1MEN1KMT2ALMNATSHR
SCHEMBL31124488 0.82 MAOA (0.47) TDP1MEN1KMT2ALMNATSHR
SCHEMBL31124384 0.81 TDP1 (0.48) TDP1MEN1KMT2ALMNATSHR
SCHEMBL31124352 0.79 MEN1 (0.46) TDP1MEN1KMT2ALMNATSHR
SCHEMBL31124428 0.78 MAOA (0.45) TDP1MEN1KMT2ALMNATSHR
SCHEMBL31124437 0.78 TDP1 (0.44) TDP1MEN1KMT2AMAOAMAOB
SCHEMBL31124376 0.78 TDP1 (0.46) TDP1MEN1KMT2ALMNATSHR
SCHEMBL21929478 0.71 TDP1 (0.66) TDP1MEN1KMT2ALMNATSHR
SCHEMBL3020258 0.71 TDP1 (0.81) TDP1MEN1KMT2AMAOAMAOB

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