SCHEMBL7791370

SCHEMBL7791370

C=CCCCCc1ccc(/C=N/N=C/c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
CALM1 P0DP23 1/20 0.44
IGF1R P08069 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL7791373 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL7791179 0.96 ALDH1A1 (0.47) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL7791173 0.96 ALDH1A1 (0.47) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL7793231 0.90 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL7793237 0.90 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL6056697 0.88 ALOX15 (0.58) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL7789052 0.88 GRIN2D (0.44) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL7789049 0.88 GRIN2D (0.44) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL8077879 0.86 ALOX15 (0.56) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL8076317 0.86 ALOX15 (0.56) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4

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