SCHEMBL7793549

SCHEMBL7793549

CCCc1ccc(/C=N/N=C\c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GRIN2B Q13224 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
GPR84 Q9NQS5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DAO P14920 1/20 0.39
THRB P10828 1/20 0.39
GCGR P47871 1/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL7788553 1.00 TSHR (0.42) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7793481 0.91 GRIN2B (0.52) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7793478 0.91 GRIN2B (0.52) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7793037 0.90 GRIN2D (0.48) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7793033 0.90 GRIN2D (0.48) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7788596 0.89 TSHR (0.45) TSHRGRIN2BBCHEACHEBACE1
SCHEMBL7788592 0.89 TSHR (0.45) TSHRGRIN2BBCHEACHEBACE1
SCHEMBL7783205 0.89 GRIN2D (0.47) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7783206 0.89 GRIN2D (0.47) TSHRGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7783293 0.87 GCGR (0.36) TSHRBCHEACHEBACE1SLC6A4

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