SCHEMBL7791907

SCHEMBL7791907

COc1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
MAOB P27338 1/20 0.54
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
PTGS1 P23219 1/20 0.45
CHRM5 P08912 1/20 0.44
RRM1 P23921 1/20 0.44
AHR P35869 1/20 0.44
GPR183 P32249 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL7791911 1.00 CYP1A1 (0.54) CYP1A1CYP1B1MAOBGRIN2DGRIN3B
SCHEMBL7783411 0.85 AMY1A (0.49) CYP1A1CYP1B1MAOBGRIN2DGRIN3B
SCHEMBL7783406 0.85 AMY1A (0.49) CYP1A1CYP1B1MAOBGRIN2DGRIN3B
SCHEMBL7723176 0.85 S100B (0.64) CYP1A1CYP1B1MAOBMAPTKDM4E
SCHEMBL20871240 0.85 S100B (0.64) CYP1A1CYP1B1MAOBMAPTKDM4E
SCHEMBL11770490 0.85 S100B (0.64) CYP1A1CYP1B1MAOBMAPTKDM4E
SCHEMBL269159 0.84 GRIN2D (0.68) CYP1A1CYP1B1GRIN2DGRIN3BGRIN1
SCHEMBL11776228 0.84 GRIN2D (0.68) CYP1A1CYP1B1GRIN2DGRIN3BGRIN1
SCHEMBL18144100 0.83 CYP1A1 (0.67) CYP1A1CYP1B1MAOBKDM4EPTGS1
SCHEMBL18144097 0.83 CYP1A1 (0.67) CYP1A1CYP1B1MAOBKDM4EPTGS1

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