SCHEMBL7791900

SCHEMBL7791900

C=CCOc1ccc(C=NN=Cc2ccc(C)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TLR4 O00206 1/20 0.37
AMY1A P0DUB6 1/20 0.37
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC5A1 P13866 1/20 0.36

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
SCHEMBL7791897 1.00 GAA (0.43) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7792604 0.86 NPC1 (0.57) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7792609 0.86 NPC1 (0.57) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7783588 0.81 GAA (0.58) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7783586 0.81 GAA (0.58) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7789117 0.80 NPC1 (0.44) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7789114 0.80 NPC1 (0.44) GAANPC1RAB9ATP53SMN1; SMN2
SCHEMBL7789326 0.77 NPC1 (0.42) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7789324 0.77 NPC1 (0.42) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7793048 0.77 GAA (0.51) GAANPC1RAB9ATP53SMN1; SMN2

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