SCHEMBL7791876

SCHEMBL7791876

COc1ccc(C=NN=Cc2c(F)cc(OC)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
RRM1 P23921 1/20 0.49
CHRM5 P08912 1/20 0.46
NFE2L2 Q16236 4/20 0.44
ESR1 P03372 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
NQO2 P16083 2/20 0.44
ABL1 P00519 1/20 0.44
TTR P02766 1/20 0.44
ABCB1 P08183 1/20 0.44
ALOX5 P09917 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL7791872 1.00 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788411 0.92 NQO2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788406 0.92 NQO2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791884 0.90 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791889 0.90 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7789040 0.90 NPC1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7789042 0.90 NPC1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793635 0.89 CHRM5 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793636 0.89 CHRM5 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788683 0.88 GCGR (0.44) 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 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