SCHEMBL8000565

SCHEMBL8000565

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
ALK Q9UM73 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7997843 0.96 CNR1 (0.41) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997449 0.96 CNR1 (0.41) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997009 0.93 CNR1 (0.39) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997987 0.92 TDP1 (0.40) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997060 0.92 TDP1 (0.40) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997995 0.92 TDP1 (0.40) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997057 0.92 TDP1 (0.40) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997052 0.92 MEN1 (0.44) CNR1ACHECNR2MAPTKMT2A
SCHEMBL8004552 0.92 MEN1 (0.44) CNR1ACHECNR2MAPTKMT2A
SCHEMBL7998879 0.90 CYP1A2 (0.50) 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