SCHEMBL7791349

SCHEMBL7791349

CCCCCCCc1ccc(C=NN=Cc2ccc(OCC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
S1PR1 P21453 5/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL7791347 1.00 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788460 0.99 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788462 0.99 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791303 0.95 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7791298 0.95 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793464 0.89 KMT2A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793467 0.89 KMT2A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18678028 0.88 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL7789293 0.84 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7789292 0.84 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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