SCHEMBL7987954

SCHEMBL7987954

CC=C(CC)Oc1c(O)c(=O)[nH]c2cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
AR P10275 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
KIF11 P52732 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL7988357 0.87 PARP1 (0.43) PARP1ARADORA3
SCHEMBL8001427 0.85 PARP1 (0.41) PARP1ARADORA3
SCHEMBL8002169 0.85 PARP1 (0.41) PARP1ARADORA3
SCHEMBL8000846 0.85 PARP1 (0.41) PARP1ARADORA3
SCHEMBL7988253 0.84 PARP1 (0.40) PARP1ARADORA3
SCHEMBL7998933 0.83 AR (0.38) AR
SCHEMBL8001290 0.83 PARP1 (0.39) PARP1ADORA3
SCHEMBL8001675 0.82 PARP1 (0.39) PARP1ARADORA3
SCHEMBL7998056 0.81 PARP1 (0.48) PARP1
SCHEMBL7988402 0.81 PARP1 (0.38) PARP1

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