SCHEMBL8002282

SCHEMBL8002282

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
CFTR P13569 1/20 0.37
ALK Q9UM73 1/20 0.36
IDO1 P14902 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7988694 0.96 CNR1 (0.42) CYP1A2POLBKDM4EPKMCNR1
SCHEMBL7997500 0.93 CNR1 (0.40) CYP1A2POLBKDM4EPKMCNR1
SCHEMBL7998879 0.92 CYP1A2 (0.50) CYP1A2POLBPKMCNR1ACHE
SCHEMBL8004291 0.91 MAPT (0.45) CYP1A2POLBPKMCNR1ACHE
SCHEMBL7988509 0.91 MAPT (0.45) CYP1A2POLBPKMCNR1ACHE
SCHEMBL8004227 0.89 CNR1 (0.46) CYP1A2KDM4EPKMCNR1ACHE
SCHEMBL7999456 0.89 CNR1 (0.46) CYP1A2KDM4EPKMCNR1ACHE
SCHEMBL7997858 0.89 CNR1 (0.43) CYP1A2KDM4EPKMCNR1ACHE
SCHEMBL8004219 0.89 CNR1 (0.41) CYP1A2POLBPKMCNR1ACHE
SCHEMBL8000749 0.89 CYP1A2 (0.45) CYP1A2POLBKDM4EPKMKMT2A

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