SCHEMBL7791497

SCHEMBL7791497

C=CCOc1ccc(/C=N/N=C/c2ccc(CCCCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43

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
SCHEMBL7791498 1.00 THRB (0.48) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7783238 0.99 THRB (0.47) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7783235 0.99 THRB (0.47) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7792349 0.96 GRIN2D (0.51) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7792346 0.96 GRIN2D (0.51) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788183 0.90 GAA (0.47) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788187 0.90 GAA (0.47) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5881009 0.87 THRB (0.56) THRBMEN1KMT2ARAB9AUSP2
SCHEMBL28578566 0.87 THRB (0.56) THRBMEN1KMT2ARAB9AUSP2
SCHEMBL7788691 0.84 GAA (0.49) GAAMEN1KMT2ARAB9AUSP2

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