SCHEMBL7988694

SCHEMBL7988694

C=CCOc1c(OCCCCCC)c2ccc([N+](=O)[O-])cc2n(CC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CYP19A1 P11511 4/20 0.39
LMNA P02545 1/20 0.37
CFTR P13569 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
KCNH2 Q12809 1/20 0.35
IDO1 P14902 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL8002282 0.96 CYP1A2 (0.43) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL7999456 0.93 CNR1 (0.46) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL7997858 0.93 CNR1 (0.43) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL8004227 0.93 CNR1 (0.46) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL8004909 0.92 CYP1A2 (0.48) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL7998812 0.92 CYP1A2 (0.48) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL7988509 0.91 MAPT (0.45) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL8004291 0.91 MAPT (0.45) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL7997306 0.91 CYP1A2 (0.47) CNR1ACHECNR2CYP1A2MEN1
SCHEMBL8001967 0.91 CYP1A2 (0.47) CNR1ACHECNR2CYP1A2MEN1

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