SCHEMBL7783586

SCHEMBL7783586

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL7783588 1.00 GAA (0.58) GAANPC1RAB9ATP53CA12
SCHEMBL7793132 0.91 GAA (0.51) GAANPC1RAB9ATP53CA12
SCHEMBL7792604 0.91 NPC1 (0.57) GAANPC1RAB9ATP53CA12
SCHEMBL7793130 0.91 GAA (0.51) GAANPC1RAB9ATP53CA12
SCHEMBL7792215 0.91 GAA (0.51) GAANPC1RAB9ATP53CA12
SCHEMBL7793050 0.91 GAA (0.51) GAANPC1RAB9ATP53CA12
SCHEMBL7792219 0.91 GAA (0.51) GAANPC1RAB9ATP53CA12
SCHEMBL7793048 0.91 GAA (0.51) GAANPC1RAB9ATP53CA12
SCHEMBL7792609 0.91 NPC1 (0.57) GAANPC1RAB9ATP53CA12
SCHEMBL7788694 0.88 GAA (0.49) 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