SCHEMBL8004541

SCHEMBL8004541

CNc1ccc2c(O)c(OC=O)c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SRC P12931 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 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
SCHEMBL8004462 0.85 AR (0.45) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8004409 0.84 AR (0.42) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7988949 0.82 AR (0.42) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7997368 0.82 AR (0.42) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8000708 0.80 PARP1 (0.50) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7997059 0.79 AR (0.36) AR
SCHEMBL7997056 0.79 ALDH1A1 (0.36) AR
SCHEMBL8001316 0.78 AR (0.38) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7999593 0.77 UNG (0.37) ARGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7988937 0.75 PARP1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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