SCHEMBL5313291

SCHEMBL5313291

COCN(C(=O)Nc1ccc(C(F)(F)F)cc1F)C(=O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
TRPA1 O75762 3/20 0.39
RORC P51449 1/20 0.39
CYP1A2 P05177 1/20 0.39
KIF11 P52732 1/20 0.39
HTT P42858 3/20 0.38
TLR8 Q9NR97 2/20 0.38
IL2 P60568 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR1 P32246 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
SCHEMBL5316819 0.86 TLR8 (0.44) KDM4ETLR7TLR8KMT2A
SCHEMBL5315683 0.84 KMT2A (0.47) KDM4EHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL5312166 0.83 CA1 (0.39) RORCHTTKMT2AALDH1A1
SCHEMBL5318473 0.83 HTT (0.37) SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL5315021 0.83 HTT (0.37) KDM4ESMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL5315879 0.83 HTT (0.34) SCN9AKDM4EHPGDSMN1; SMN2HTT
SCHEMBL5335591 0.83 HTT (0.34) SCN9ASMN1; SMN2TRPA1CYP1A2HTT
SCHEMBL5311739 0.83 ALDH1A1 (0.36) SCN9ASMN1; SMN2TLR7HTTTLR8
SCHEMBL5314296 0.81 ALDH1A1 (0.35) SCN9ASMN1; SMN2RORCHTTKMT2A
SCHEMBL5318469 0.80 SMN1; SMN2 (0.36) HPGDSMN1; SMN2HTTKMT2AALDH1A1

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