SCHEMBL7792215

SCHEMBL7792215

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40

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
SCHEMBL7792219 1.00 GAA (0.51) GAANPC1RAB9ATP53TSHR
SCHEMBL7783586 0.91 GAA (0.58) GAANPC1RAB9ATP53CA12
SCHEMBL7783588 0.91 GAA (0.58) GAANPC1RAB9ATP53CA12
SCHEMBL7783258 0.86 GAA (0.48) GAANPC1RAB9ATP53CA12
SCHEMBL4317309 0.86 GAA (0.48) GAANPC1RAB9ATP53TSHR
SCHEMBL4317311 0.86 GAA (0.48) GAANPC1RAB9ATP53TSHR
SCHEMBL7783255 0.86 GAA (0.48) GAANPC1RAB9ATP53CA12
SCHEMBL2443600 0.86 CA12 (0.53) GAANPC1RAB9ATP53CA12
SCHEMBL7793440 0.84 GAA (0.47) GAANPC1RAB9ATP53CA12
SCHEMBL7793443 0.84 GAA (0.47) GAANPC1RAB9ATP53CA12

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