SCHEMBL7988253

SCHEMBL7988253

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
ADORA3 P0DMS8 2/20 0.32
AR P10275 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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) PARP1ADORA3ARTNKS2
SCHEMBL8001427 0.85 PARP1 (0.41) PARP1ADORA3AR
SCHEMBL8000846 0.85 PARP1 (0.41) PARP1ADORA3AR
SCHEMBL8002169 0.85 PARP1 (0.41) PARP1ADORA3AR
SCHEMBL8001216 0.85 AR (0.36) AR
SCHEMBL7987954 0.84 PARP1 (0.43) PARP1ADORA3AR
SCHEMBL8001290 0.83 PARP1 (0.39) PARP1ADORA3
SCHEMBL7999147 0.83 PARP1 (0.36) PARP1
SCHEMBL7988866 0.83 PARP1 (0.44) PARP1
SCHEMBL8001675 0.83 PARP1 (0.39) PARP1ADORA3AR

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