SCHEMBL8002178

SCHEMBL8002178

COc1c(OCC=C(C)C)c2ccc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
DAO P14920 1/20 0.40
MAPT P10636 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
ABCB1 P08183 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL8000712 0.91 BACE1 (0.46) PARP1MAPTMEN1KMT2APPARG
SCHEMBL8001313 0.91 BACE1 (0.46) PARP1MAPTMEN1KMT2APPARG
SCHEMBL8000622 0.89 PARP1 (0.45) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7988724 0.89 PARP1 (0.45) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8001795 0.89 PARP1 (0.45) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7988861 0.89 PARP1 (0.44) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7998053 0.88 PARP1 (0.48) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7988828 0.88 PARP1 (0.44) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8001079 0.87 BACE1 (0.46) PARP1MAPTMEN1KMT2APPARG
SCHEMBL8001075 0.87 BACE1 (0.46) PARP1MAPTMEN1KMT2APPARG

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