SCHEMBL7793511

SCHEMBL7793511

COc1ccc(/C=N/N=C/c2ccc(OCC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7793513 1.00 KMT2A (0.56) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL7791287 0.87 NPC1 (0.55) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL7791292 0.87 NPC1 (0.55) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL7789033 0.84 KMT2A (0.49) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL7789038 0.84 KMT2A (0.49) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL7788616 0.84 LMNA (0.45) KMT2AMEN1HPGDPIK3CAPIK3CB
SCHEMBL7788615 0.84 LMNA (0.45) KMT2AMEN1HPGDPIK3CAPIK3CB
SCHEMBL2259946 0.84 CA12 (0.50) KMT2AMEN1CYP2C19MAPTSMN1; SMN2
SCHEMBL7789060 0.83 KMT2A (0.56) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL7789057 0.83 KMT2A (0.56) KMT2AMEN1GRIN2DGRIN3BGRIN1

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