SCHEMBL7791877

SCHEMBL7791877

CCCCCc1cc(F)c(C=NN=Cc2ccc(C)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
RRM1 P23921 1/20 0.36
TRPM2 O94759 2/20 0.36
PTGS2 P35354 3/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.34
PLK1 P53350 3/20 0.34
PLK3 Q9H4B4 1/20 0.34
RARB P10826 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 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
SCHEMBL7791875 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7789231 0.99 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7789233 0.99 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7783266 0.96 NPC1 (0.47) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7783270 0.96 NPC1 (0.47) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7783249 0.90 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7783252 0.90 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7788723 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7788722 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7791246 0.89 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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