SCHEMBL7997461

SCHEMBL7997461

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPK1 P28482 1/20 0.35
CFTR P13569 1/20 0.34
ACHE P22303 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL7997237 0.93 TDP1 (0.41) CYP1A2MAPTKMT2AMEN1KDM4E
SCHEMBL7997235 0.93 TDP1 (0.41) CYP1A2MAPTKMT2AMEN1KDM4E
SCHEMBL8000514 0.91 MAPT (0.38) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7989001 0.90 CYP1A2 (0.44) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997884 0.89 MAPT (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997240 0.89 MAPT (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL8001041 0.89 CYP1A2 (0.46) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997487 0.88 CYP1A2 (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7988431 0.88 CYP1A2 (0.42) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL7997575 0.88 ALDH1A1 (0.39) CYP1A2MAPTKMT2AMEN1LMNA

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