SCHEMBL7788237

SCHEMBL7788237

CCCc1ccc(/C=N/N=C/c2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
NFE2L2 Q16236 1/20 0.35
NPC1 O15118 3/20 0.35
PKM P14618 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
PLA2G7 Q13093 2/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7788241 1.00 TRPA1 (0.37) TRPA1NFE2L2NPC1PKMRAB9A
SCHEMBL7788475 0.92 GRIN1 (0.44) TRPA1NFE2L2GRIN1GRIN2BPLA2G7
SCHEMBL7788480 0.92 GRIN1 (0.44) TRPA1NFE2L2GRIN1GRIN2BPLA2G7
SCHEMBL7793468 0.91 GRIN2D (0.40) TRPA1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7793466 0.91 GRIN2D (0.40) TRPA1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7793104 0.90 GRIN2D (0.42) NPC1PKMRAB9ATP53SMN1; SMN2
SCHEMBL7793107 0.90 GRIN2D (0.42) NPC1PKMRAB9ATP53SMN1; SMN2
SCHEMBL7793275 0.89 GRIN2D (0.39) TP53HSD17B10GRIN1GRIN2BGRIN2D
SCHEMBL7793277 0.89 GRIN2D (0.39) TP53HSD17B10GRIN1GRIN2BGRIN2D
SCHEMBL7793502 0.88 PLA2G7 (0.38) TRPA1NFE2L2NPC1PKMRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825176-B1 Azine derivative, process for the preparation thereof, nematic liquid crystal composition and liquid crystal display system comprising same DAINIPPON INK & CHEMICALS (JP) 2001-11-14 EP disclosed
US-6010642-A LIGHT SCATTERING LIQUID CRYSTAL DISPLAY DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-01-04 US disclosed
EP-0825176-A1 Azine derivative, process for the preparation thereof, nematic liquid crystal composition and liquid crystal display system comprising same DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-02-25 EP disclosed