SCHEMBL5336323

SCHEMBL5336323

COCN(C(=O)Nc1ccc([S+]([O-])C(F)(F)C(F)F)cc1F)C(=O)c1c(F)cccc1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
SCN9A Q15858 1/20 0.31
BDKRB1 P46663 3/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL5311739 0.81 ALDH1A1 (0.36) HTTSCN9A
SCHEMBL5318473 0.80 HTT (0.37) HTT
SCHEMBL5313291 0.80 SCN9A (0.44) HTTSCN9A
SCHEMBL5312166 0.78 CA1 (0.39) HTT
SCHEMBL5315683 0.77 KMT2A (0.47)
SCHEMBL5318469 0.77 SMN1; SMN2 (0.36) HTT
SCHEMBL5316805 0.76 MEN1 (0.34) HTTBDKRB1DHODH
SCHEMBL5315021 0.76 HTT (0.37) HTT
SCHEMBL5335591 0.76 HTT (0.34) HTTSCN9ABDKRB1DHODH
SCHEMBL5315879 0.76 HTT (0.34) HTTSCN9ADHODH

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-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed