SCHEMBL7789117

SCHEMBL7789117

C=CCc1ccc(C=NN=Cc2ccc(C)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
AMY1A P0DUB6 1/20 0.39
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34

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
SCHEMBL7789114 1.00 NPC1 (0.44) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7789326 0.86 NPC1 (0.42) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7789324 0.86 NPC1 (0.42) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7791430 0.85 SMN1; SMN2 (0.63) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7791429 0.85 SMN1; SMN2 (0.63) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7791158 0.84 NPC1 (0.40) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7791162 0.84 NPC1 (0.40) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7783248 0.83 LMNA (0.39) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7783245 0.83 LMNA (0.39) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL7791900 0.80 GAA (0.43) NPC1SMN1; SMN2RAB9AMAPTLMNA

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