SCHEMBL7997730

SCHEMBL7997730

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL8004362 0.85 GRIN2D (0.48) PARP1KDM4EGAAGLAGRIN2D
SCHEMBL8004554 0.85 GRIN2D (0.48) PARP1KDM4EGAAGLAGRIN2D
SCHEMBL8004373 0.84 PARP1 (0.53) PARP1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL7988949 0.81 AR (0.42) KDM4EGAAGLAGRIN2DGRIN3B
SCHEMBL7988987 0.81 PARP1 (0.49) PARP1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL6579453 0.80 KDM4E (0.57) KDM4EGAAGRIN2DGRIN3BGRIN1
SCHEMBL7997490 0.79 PARP1 (0.53) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8000708 0.79 PARP1 (0.50) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8066755 0.79 PARP1 (0.42) PARP1KDM4EGAAGLAGRIN2D
SCHEMBL8001044 0.79 PARP1 (0.42) PARP1KDM4EGAAGLAGRIN2D

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 3 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