SCHEMBL7791870

SCHEMBL7791870

COc1ccc(/C=N/N=C/c2ccc(OC)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP1B1 Q16678 2/20 0.55
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
CHRM5 P08912 1/20 0.50
APP P05067 1/20 0.47
NFE2L2 Q16236 5/20 0.46
RELA Q04206 1/20 0.45
RRM1 P23921 1/20 0.43
NPC1 O15118 1/20 0.42
NQO2 P16083 1/20 0.42
UBE2N P61088 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7791874 1.00 AMY1A (0.56) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7788556 0.94 AMY1A (0.54) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7788559 0.94 AMY1A (0.54) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7788708 0.92 AMY1A (0.52) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7788710 0.92 AMY1A (0.52) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7783577 0.91 AMY1A (0.51) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7783580 0.91 AMY1A (0.51) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7793389 0.89 RELA (0.50) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7789082 0.89 AMY1A (0.52) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D
SCHEMBL7793393 0.89 RELA (0.50) AMY1ACYP1A1CYP1A2CYP1B1GRIN2D

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