SCHEMBL5313896

SCHEMBL5313896

COCN(C(=O)NC(=O)c1c(F)cccc1Cl)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.36
TLR8 Q9NR97 7/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5312164 0.94 TRPA1 (0.33) NPC1ALDH1A1LMNARAB9APOLB
SCHEMBL5389734 0.91 TLR7 (0.39) TLR7TLR8KDM4ENPC1ALDH1A1
SCHEMBL5314713 0.88 TRPA1 (0.34) NPC1MAPTRAB9APOLB
SCHEMBL5314184 0.88 P2RX7 (0.32)
SCHEMBL5314263 0.88 TLR7 (0.36) TLR7TLR8KDM4ENPC1ALDH1A1
SCHEMBL5314173 0.87 KDM4E (0.35) TLR7TLR8KDM4ENPC1ALDH1A1
SCHEMBL5314164 0.86 GAA (0.38) TLR7TLR8LMNAGAAL3MBTL1
SCHEMBL4154057 0.86 TLR7 (0.40) TLR7TLR8GAAL3MBTL1MAPT
SCHEMBL5313207 0.85 GAA (0.37) TLR7TLR8KDM4ELMNAGAA
SCHEMBL5312106 0.84 TRPA1 (0.35) TLR7TLR8NPC1LMNAMAPT

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