SCHEMBL8000883

SCHEMBL8000883

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CNR1 P21554 2/20 0.45
ACHE P22303 2/20 0.45
CNR2 P34972 2/20 0.45
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
CYP19A1 P11511 4/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
LMNA P02545 2/20 0.40
KCNA3 P22001 1/20 0.39
KCNA5 P22460 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL7988430 1.00 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8000949 0.96 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7998739 0.96 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8004909 0.95 CYP1A2 (0.48) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7998812 0.95 CYP1A2 (0.48) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7997457 0.94 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7997306 0.94 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8001967 0.94 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL7996986 0.93 CNR1 (0.47) CYP1A2CNR1ACHECNR2KMT2A
SCHEMBL8001574 0.93 CNR1 (0.49) 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 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