SCHEMBL7791902

SCHEMBL7791902

CCC=CCCc1ccc(C=NN=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
UBE2N P61088 2/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.38
KCNA3 P22001 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36

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
SCHEMBL7791896 1.00 KCNH2 (0.46) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7791894 1.00 KCNH2 (0.46) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788728 0.92 GRIN2D (0.44) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788724 0.92 GRIN2D (0.44) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788726 0.92 GRIN2D (0.44) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7789221 0.87 GRIN2D (0.44) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788595 0.87 GRIN2D (0.41) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7789222 0.87 GRIN2D (0.44) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7788599 0.87 GRIN2D (0.41) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7789226 0.87 GRIN2D (0.44) KCNH2GRIN2DGRIN3BGRIN1GRIN2A

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