SCHEMBL8001998

SCHEMBL8001998

CCCCOc1c(OCC(C)CCC)c(=O)[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KCNH2 Q12809 1/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ALK Q9UM73 1/20 0.38
DAO P14920 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7988604 0.96 KCNH2 (0.43) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8004245 0.90 PARP1 (0.45) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8001406 0.89 PARP1 (0.53) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7999058 0.86 PARP1 (0.50) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8000899 0.86 PARP1 (0.50) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8000575 0.86 PARP1 (0.50) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8001951 0.86 PARP1 (0.40) PARP1KCNH2GRIA1GRIA2GRIA3
SCHEMBL8004447 0.86 PARP1 (0.45) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7997048 0.85 PARP1 (0.47) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7997960 0.85 PARP1 (0.51) PARP1GRIN2DGRIN3BGRIN1GRIN2A

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