SCHEMBL7783445

SCHEMBL7783445

C=CCCc1ccc(C=NN=Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPK1 P28482 2/20 0.35
BLM P54132 2/20 0.35
CHRM5 P08912 2/20 0.35
PKM P14618 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THPO P40225 1/20 0.35
GRM5 P41594 1/20 0.35
PMP22 Q01453 1/20 0.35
NFE2L2 Q16236 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2D O15399 1/20 0.33

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
SCHEMBL7783442 1.00 PLA2G7 (0.35) PLA2G7GRIN1GRIN2BNPC1RAB9A
SCHEMBL7788252 0.91 GRIN1 (0.37) PLA2G7GRIN1GRIN2BNPC1RAB9A
SCHEMBL7788257 0.91 GRIN1 (0.37) PLA2G7GRIN1GRIN2BNPC1RAB9A
SCHEMBL7793560 0.90 GRIN1 (0.36) PLA2G7GRIN1GRIN2BNPC1RAB9A
SCHEMBL7793564 0.90 GRIN1 (0.36) PLA2G7GRIN1GRIN2BNPC1RAB9A
SCHEMBL8139528 0.88 CA12 (0.33) GRIN1GRIN2BNPC1RAB9AMAPK1
SCHEMBL8139527 0.88 CA12 (0.33) GRIN1GRIN2BNPC1RAB9AMAPK1
SCHEMBL7789018 0.85 NPC1 (0.41) GRIN1GRIN2BNPC1RAB9ABLM
SCHEMBL8153254 0.85 NPC1 (0.41) GRIN1GRIN2BNPC1RAB9ABLM
SCHEMBL7793302 0.85 GRIN2D (0.35) GRIN1GRIN2BNPC1RAB9AMAPK1

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