SCHEMBL7997387

SCHEMBL7997387

CCCCOc1c(OCCCC)c2ccc([N+](=O)[O-])cc2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
ACHE P22303 2/20 0.47
CNR2 P34972 2/20 0.47
MAPT P10636 6/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL7997649 0.96 CNR1 (0.50) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7997250 0.96 CNR1 (0.50) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7997847 0.96 CNR1 (0.50) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7998924 0.95 CNR1 (0.51) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7997356 0.95 CNR1 (0.51) CNR1ACHECNR2MAPTMAPK1
SCHEMBL8001543 0.94 CNR1 (0.45) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7988415 0.94 CNR1 (0.45) CNR1ACHECNR2MAPTMAPK1
SCHEMBL8004219 0.92 CNR1 (0.41) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7988892 0.91 CNR1 (0.43) CNR1ACHECNR2MAPTMAPK1
SCHEMBL7998912 0.91 CNR1 (0.43) CNR1ACHECNR2MAPTMAPK1

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 5 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
CN-1163268-A Quinolinone derivatives and antiallergic agent containing said quinolinone derivatives as active ingredient LAINIPPON INK AND CHEMICALC IN (JP) 1997-10-29 CN 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