SCHEMBL7793208

SCHEMBL7793208

CCCCc1ccc(C=NN=Cc2ccc([C@H]3CC[C@H](C)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SPHK2 Q9NRA0 7/20 0.45
ESR2 Q92731 1/20 0.41
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7789266 0.96 SPHK1 (0.57) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788715 0.95 SPHK1 (0.59) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7791470 0.95 SPHK1 (0.59) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8146292 0.92 SPHK1 (0.43) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7793608 0.88 SPHK1 (0.50) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7792308 0.86 ESR2 (0.45) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788400 0.86 SPHK1 (0.39) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8153162 0.85 SPHK1 (0.41) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7783302 0.84 SPHK1 (0.56) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8148590 0.84 SPHK1 (0.43) SPHK1GRIN2DGRIN3BGRIN1GRIN2A

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