SCHEMBL7788596

SCHEMBL7788596

CCc1ccc(C=NN=Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GCGR P47871 1/20 0.41
GRIN2B Q13224 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
SLC6A4 P31645 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAOA P21397 1/20 0.40
PDE2A O00408 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7788592 1.00 TSHR (0.45) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7788553 0.89 TSHR (0.42) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7793549 0.89 TSHR (0.42) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7793478 0.86 GRIN2B (0.52) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7793481 0.86 GRIN2B (0.52) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7789948 0.86 TSHR (0.38) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7789946 0.86 TSHR (0.38) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7793037 0.85 GRIN2D (0.48) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL7793033 0.85 GRIN2D (0.48) TSHRBCHEACHEBACE1ALDH1A1
SCHEMBL9060664 0.84 TSHR (0.49) TSHRBCHEACHEALDH1A1SMN1; SMN2

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