SCHEMBL7793427

SCHEMBL7793427

COc1cc(F)c(C=NN=Cc2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CHRM5 P08912 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
MAOB P27338 1/20 0.40
RRM1 P23921 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
NQO2 P16083 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS2 P35354 3/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL7793424 1.00 PTGS1 (0.45) PTGS1MAPTKDM4EPOLBCHRM5
SCHEMBL7791876 0.86 GRIN2D (0.50) CHRM5CYP1A1CYP1B1RRM1GRIN2D
SCHEMBL7791872 0.86 GRIN2D (0.50) CHRM5CYP1A1CYP1B1RRM1GRIN2D
SCHEMBL7788406 0.85 NQO2 (0.51) PTGS1MAPTCHRM5CYP1A1CYP1B1
SCHEMBL7788411 0.85 NQO2 (0.51) PTGS1MAPTCHRM5CYP1A1CYP1B1
SCHEMBL7783406 0.84 AMY1A (0.49) PTGS1MAPTKDM4EPOLBCHRM5
SCHEMBL7783411 0.84 AMY1A (0.49) PTGS1MAPTKDM4EPOLBCHRM5
SCHEMBL7788685 0.84 GCGR (0.44) PTGS1MAPTKDM4EPOLBCHRM5
SCHEMBL7788683 0.84 GCGR (0.44) PTGS1MAPTKDM4EPOLBCHRM5
SCHEMBL8144434 0.84 NPC1 (0.44) PTGS1MAPTPOLBCYP1A1CYP1B1

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