SCHEMBL8004909

SCHEMBL8004909

CCCCCCOc1c(OCCCCCC)c2ccc([N+](=O)[O-])cc2n(CC)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
CYP19A1 P11511 4/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
CFTR P13569 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
SCHEMBL7998812 1.00 CYP1A2 (0.48) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7997457 0.99 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7997306 0.99 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8001967 0.99 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7998879 0.95 CYP1A2 (0.50) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8000883 0.95 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8000949 0.95 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7988430 0.95 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7997236 0.92 CNR1 (0.49) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8004599 0.92 CNR1 (0.52) CYP1A2CNR1ACHECNR2KMT2A

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 3 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
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