SCHEMBL7791128

SCHEMBL7791128

CCCCCCc1ccc(C=NN=Cc2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.58
SPHK2 Q9NRA0 7/20 0.51
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL7788206 1.00 SPHK1 (0.58) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL7783302 0.99 SPHK1 (0.56) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL7793608 0.95 SPHK1 (0.50) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL7783436 0.90 SPHK1 (0.43) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL7791470 0.89 SPHK1 (0.59) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL7788715 0.89 SPHK1 (0.59) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL8148059 0.88 SPHK1 (0.44) SPHK1SPHK2GRIN2DGRIN3BGRIN1
SCHEMBL10658046 0.88 SPHK1 (0.72) SPHK1SPHK2ESR1ADRA2AADORA3
SCHEMBL10658045 0.88 SPHK1 (0.72) SPHK1SPHK2ESR1ADRA2AADORA3
SCHEMBL7789266 0.87 SPHK1 (0.57) SPHK1SPHK2GRIN2DGRIN3BGRIN1

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