SCHEMBL7997398

SCHEMBL7997398

CCCCCCOc1c(O)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
CNR2 P34972 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 4/20 0.42
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.39
GSK3B P49841 2/20 0.39
ESR1 P03372 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
SRC P12931 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
SCHEMBL8001262 0.96 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL7997229 0.93 CNR2 (0.49) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL8001046 0.93 CNR2 (0.49) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL7988323 0.93 CNR1 (0.47) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL7988306 0.92 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL7997589 0.91 MAPT (0.48) CYP1A2CNR1ACHECNR2MEN1
SCHEMBL7998038 0.91 MAPT (0.48) CYP1A2CNR1ACHECNR2MEN1
SCHEMBL7998812 0.90 CYP1A2 (0.48) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL8004909 0.90 CYP1A2 (0.48) CYP1A2CNR1ACHECNR2CYSLTR2
SCHEMBL8001967 0.89 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2CYSLTR2

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