SCHEMBL7999130

SCHEMBL7999130

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
ACHE P22303 2/20 0.42
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
POLB P06746 1/20 0.37

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 1.00 MAPT (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997731 0.96 MAPT (0.41) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004355 0.94 MEN1 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8001179 0.94 CNR1 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004131 0.94 MEN1 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7999860 0.94 CNR1 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7999941 0.92 CNR1 (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997648 0.91 MEN1 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7998727 0.91 MEN1 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004579 0.90 CNR1 (0.41) MAPTMEN1KMT2ACNR2CNR1

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