SCHEMBL8001389

SCHEMBL8001389

CCCCOc1c(OC)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CNR1 P21554 2/20 0.42
ACHE P22303 2/20 0.42
CNR2 P34972 2/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA3 P22001 1/20 0.39
KCNA5 P22460 1/20 0.39
ALK Q9UM73 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL8000949 0.96 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7998739 0.96 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7998879 0.94 CYP1A2 (0.50) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7998843 0.92 CNR1 (0.43) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL8000883 0.91 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7988430 0.91 CYP1A2 (0.45) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997306 0.91 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL8001967 0.91 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7997457 0.91 CYP1A2 (0.47) CYP1A2CNR1ACHECNR2MAPT
SCHEMBL7998992 0.90 MEN1 (0.48) CYP1A2CNR1ACHECNR2MAPT

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