SCHEMBL7789145

SCHEMBL7789145

CCCCc1ccc(/C=N/N=C/c2ccc(F)c(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PLK1 P53350 1/20 0.36
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7789147 1.00 GRIN1 (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7783433 0.95 GRIN2D (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7783432 0.95 GRIN2D (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7788668 0.94 GRIN2D (0.49) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7788671 0.94 GRIN2D (0.49) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7789207 0.91 GRIN1 (0.43) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7789203 0.91 GRIN1 (0.43) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7788480 0.89 GRIN1 (0.44) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7788475 0.89 GRIN1 (0.44) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7789254 0.88 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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