SCHEMBL7992045

SCHEMBL7992045

CCCCCCOc1c(O)c2ccc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
KCNH2 Q12809 1/20 0.47
CYP19A1 P11511 4/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SERPINE1 P05121 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL7999303 1.00 PARP1 (0.48) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL8000636 0.95 PARP1 (0.50) PARP1KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL8004414 0.91 PARP1 (0.48) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL7998563 0.90 PARP1 (0.51) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL7997960 0.90 PARP1 (0.51) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL7999058 0.89 PARP1 (0.50) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL8000899 0.89 PARP1 (0.50) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL8000575 0.89 PARP1 (0.50) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL7045733 0.87 KCNH2 (0.56) PARP1KCNH2CYP19A1GRIN2DGRIN3B
SCHEMBL8001259 0.87 PARP1 (0.48) PARP1KCNH2CYP19A1GRIN2DGRIN3B

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