SCHEMBL7997491

SCHEMBL7997491

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
IDO1 P14902 2/20 0.36
CFTR P13569 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
HTR1A P08908 1/20 0.34
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL8001881 0.91 CNR1 (0.39) CYP1A2KDM4EPOLBKMT2AMAPT
SCHEMBL7998954 0.90 HTR1A (0.36) CYP1A2KDM4EPOLBPKMKMT2A
SCHEMBL8472600 0.89 CNR2 (0.42) CYP1A2KDM4EKMT2AMAPTMEN1
SCHEMBL7990060 0.89 CNR2 (0.42) CYP1A2KDM4EKMT2AMAPTMEN1
SCHEMBL8000567 0.88 CNR1 (0.42) CYP1A2KDM4EPOLBKMT2AMAPT
SCHEMBL7989005 0.87 CYP1A2 (0.44) CYP1A2PKMKMT2AMAPTMEN1
SCHEMBL8000749 0.86 CYP1A2 (0.45) CYP1A2KDM4EPOLBPKMKMT2A
SCHEMBL7997453 0.86 CNR1 (0.45) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL7999487 0.86 CNR1 (0.45) CYP1A2KMT2AMAPTMEN1LMNA
SCHEMBL7998760 0.85 CYP1A2 (0.43) CYP1A2KMT2AMAPTMEN1LMNA

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