SCHEMBL8000892

SCHEMBL8000892

CCCCCCCCn1c(=O)c(OC=O)c(OCCCCCC)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
ACHE P22303 3/20 0.47
CNR2 P34972 3/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP19A1 P11511 4/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.37
TDP2 O95551 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL7999061 1.00 CNR1 (0.47) CNR1ACHECNR2MEN1MAPT
SCHEMBL8002267 0.98 MAPT (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL8005117 0.98 MAPT (0.46) CNR1ACHECNR2MEN1MAPT
SCHEMBL8000829 0.98 CNR1 (0.45) CNR1ACHECNR2MEN1MAPT
SCHEMBL7989002 0.94 CNR1 (0.41) CNR1ACHECNR2MEN1MAPT
SCHEMBL7999851 0.93 CNR1 (0.43) CNR1ACHECNR2MEN1MAPT
SCHEMBL7989446 0.92 CNR1 (0.52) CNR1ACHECNR2MEN1MAPT
SCHEMBL7997243 0.92 CNR1 (0.52) CNR1ACHECNR2MEN1MAPT
SCHEMBL8004599 0.92 CNR1 (0.52) CNR1ACHECNR2MEN1MAPT
SCHEMBL7988123 0.92 CNR1 (0.52) CNR1ACHECNR2MEN1MAPT

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