SCHEMBL7998932

SCHEMBL7998932

CCn1c(=O)c(OC(C)C)c(OCC=C(C)C)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAPT P10636 6/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
PDE4A P27815 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CFTR P13569 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP19A1 P11511 2/20 0.33
ACHE P22303 1/20 0.33
CYP1B1 Q16678 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NPC1 O15118 1/20 0.33
NPBWR1 P48145 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 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
SCHEMBL7997582 0.92 TDP1 (0.40) CYP1A2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7997586 0.92 TDP1 (0.40) CYP1A2MAPTKMT2AMEN1ALDH1A1
SCHEMBL8001653 0.91 MAPT (0.37) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL8001233 0.89 MEN1 (0.42) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7997380 0.89 MEN1 (0.42) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7989001 0.89 CYP1A2 (0.44) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL8000875 0.88 MAPT (0.35) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7997461 0.87 CYP1A2 (0.42) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7988431 0.87 CYP1A2 (0.42) CYP1A2MAPTKMT2ALMNAMEN1
SCHEMBL7997487 0.87 CYP1A2 (0.42) 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