SCHEMBL7793218

SCHEMBL7793218

C=CCc1ccc(/C=N/N=C/c2ccc(CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALOX12 P18054 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAOA P21397 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
PKM P14618 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL7793221 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL7791826 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL7791828 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL14525812 0.86 NPC1 (0.54) ALDH1A1SMN1; SMN2ALOX12TP53MAOA
SCHEMBL7789215 0.86 GRIN2D (0.45) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL7789212 0.86 GRIN2D (0.45) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL7791429 0.85 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL7791430 0.85 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL4556361 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53
SCHEMBL7789191 0.83 GRIN2D (0.57) ALDH1A1SMN1; SMN2ALOX12CYP3A4TP53

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