SCHEMBL7792005

SCHEMBL7792005

C=CCCc1ccc(C=NN=Cc2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP2C9 P11712 1/20 0.33
SPHK2 Q9NRA0 7/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7793604 0.93 SPHK1 (0.40) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7793473 0.92 SPHK1 (0.42) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8148059 0.91 SPHK1 (0.44) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788622 0.87 ESR2 (0.40) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7783436 0.87 SPHK1 (0.43) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7793608 0.85 SPHK1 (0.50) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7783603 0.84 MAOA (0.36) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7783302 0.84 SPHK1 (0.56) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788270 0.83 ALDH1A1 (0.42) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7791128 0.82 SPHK1 (0.58) 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