SCHEMBL7988604

SCHEMBL7988604

CCCCCCOc1c(OCC(C)CCC)c(=O)[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
PARP1 P09874 1/20 0.42
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CYP19A1 P11511 4/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL8001998 0.96 PARP1 (0.44) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL7997960 0.90 PARP1 (0.51) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL7998563 0.90 PARP1 (0.51) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL8000575 0.89 PARP1 (0.50) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL7999058 0.89 PARP1 (0.50) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL8000899 0.89 PARP1 (0.50) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL8004245 0.88 PARP1 (0.45) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8000793 0.86 PARP1 (0.45) KCNH2PARP1CNR2CNR1ACHE
SCHEMBL8001406 0.85 PARP1 (0.53) KCNH2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL8001780 0.85 PARP1 (0.48) KCNH2PARP1CNR2CNR1ACHE

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