SCHEMBL7997773

SCHEMBL7997773

CC(C)Oc1c(O)c2ccc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
DAO P14920 1/20 0.46
GRIN2D O15399 3/20 0.45
GRIN3B O60391 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2B Q13224 3/20 0.45
GRIN2C Q14957 3/20 0.45
GRIN3A Q8TCU5 3/20 0.45
FASN P49327 1/20 0.44
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8000790 0.86 PARP1 (0.57) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8001873 0.85 PARP1 (0.53) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7997490 0.82 PARP1 (0.53) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7988937 0.81 PARP1 (0.55) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8004447 0.80 PARP1 (0.45) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8000636 0.80 PARP1 (0.50) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8000855 0.80 PARP1 (0.67) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7997048 0.79 PARP1 (0.47) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7988987 0.79 PARP1 (0.49) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7988866 0.79 PARP1 (0.44) PARP1GRIA1GRIA2GRIA3GRIA4

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