SCHEMBL8602452

SCHEMBL8602452

COc1ccc(/C=N/N=C/c2cc(F)c(OC(F)F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
NFE2L2 Q16236 6/20 0.39
AMY1A P0DUB6 1/20 0.39
CHRM5 P08912 1/20 0.38
RELA Q04206 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
RRM1 P23921 1/20 0.36
MAPT P10636 3/20 0.36
MIF P14174 1/20 0.36
ALDH1A1 P00352 1/20 0.35
S100B P04271 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
SCHEMBL8602454 1.00 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7783564 0.86 MAPT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7783565 0.86 MAPT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791870 0.80 AMY1A (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791874 0.80 AMY1A (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793047 0.80 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793053 0.80 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7783405 0.80 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7783409 0.80 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793393 0.76 RELA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
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