SCHEMBL9195385

SCHEMBL9195385

c1ccc(-c2ccc3c(ccc4ncoc43)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
PIK3CA P42336 2/20 0.43
PIK3R1 P27986 1/20 0.43
ACLY P53396 1/20 0.43
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
GPR84 Q9NQS5 1/20 0.40
DHFR P00374 1/20 0.40
MAP4K4 O95819 1/20 0.40
KCNA3 P22001 1/20 0.39
DYRK1A Q13627 1/20 0.39
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
MAPK14 Q16539 1/20 0.38
PGR P06401 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 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
SCHEMBL9194510 0.89 ACLY (0.46) BACE1PIK3CAPIK3R1ACLYDHFR
SCHEMBL17691816 0.85 ACLY (0.45) BACE1PIK3CAPIK3R1ACLYESR1
SCHEMBL17691822 0.84 DYRK1A (0.56) BACE1PIK3CAPIK3R1ESR1ESR2
SCHEMBL17691829 0.83 ACLY (0.43) BACE1PIK3CAPIK3R1ACLYESR1
SCHEMBL17692007 0.78 ACLY (0.40) BACE1PIK3CAPIK3R1ACLYESR1
SCHEMBL17691993 0.78 ACLY (0.40) BACE1PIK3CAPIK3R1ACLYESR1
SCHEMBL3910922 0.78 CYP3A4 (0.52) BACE1PLAUNPC1LMNAMAPT
SCHEMBL29728143 0.78 CYP3A4 (0.52) BACE1PLAUNPC1LMNAMAPT
SCHEMBL1987912 0.77 ESR1 (0.58) BACE1ESR1ESR2GPR84DHFR
SCHEMBL2724557 0.77 ESR1 (0.58) BACE1ESR1ESR2GPR84DHFR

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-0532798-B1 An electroluminescent element ASAHI CHEMICAL IND (JP) 1995-12-06 EP disclosed
US-5281489-A Anode, cathode, organic luminescent layer disposed between, the luminescent layer comprising a fluorescent luminescent agent, a hole moving and donating agent, an electron moving and donating agent ASASHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-01-25 US disclosed
EP-0532798-A1 An electroluminescent element ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-03-24 EP disclosed