SCHEMBL7997731

SCHEMBL7997731

CCCCn1c(=O)c(OC(C)=O)c(OCC)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8004856 0.96 MAPT (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7999130 0.96 MAPT (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8004579 0.94 CNR1 (0.41) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7999941 0.92 CNR1 (0.44) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7998312 0.91 MAPT (0.41) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8004355 0.90 MEN1 (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7999860 0.90 CNR1 (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8001179 0.90 CNR1 (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8004131 0.90 MEN1 (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8001041 0.90 CYP1A2 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E

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