SCHEMBL7998760

SCHEMBL7998760

CC=C(CC)Oc1c(OC=O)c(=O)n(CC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 1/20 0.35
NOX4 Q9NPH5 2/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SRC P12931 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 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
SCHEMBL7989005 0.92 CYP1A2 (0.44) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL8001195 0.91 CNR1 (0.39) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7988414 0.89 CYP1A2 (0.36) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7998355 0.89 MAPT (0.43) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7997091 0.89 MAPT (0.43) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7997465 0.88 CYP1A2 (0.43) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7998934 0.87 CYP1A2 (0.42) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL8001548 0.87 CYP1A2 (0.45) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL8000567 0.86 CNR1 (0.42) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7997491 0.85 CYP1A2 (0.41) CYP1A2MAPTKMT2ALMNAMEN1

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