SCHEMBL7998539

SCHEMBL7998539

CCCCOc1c(O)c2ccc([N+](=O)[O-])cc2n(CC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NOX4 Q9NPH5 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SRC P12931 3/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 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
SCHEMBL7988306 0.96 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7998708 0.92 CNR2 (0.43) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL8001262 0.91 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL8001065 0.90 MAPT (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL6582030 0.90 MAPT (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL7999657 0.90 MAPT (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL7998879 0.90 CYP1A2 (0.50) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL8004570 0.88 CNR2 (0.49) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7988860 0.88 CNR2 (0.49) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL8001946 0.88 CNR2 (0.47) CYP1A2CNR1ACHECNR2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed