SCHEMBL8001589

SCHEMBL8001589

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CNR2 P34972 5/20 0.41
CNR1 P21554 3/20 0.41
ACHE P22303 3/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35

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
SCHEMBL8001368 1.00 MAPT (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997313 0.96 ALDH1A1 (0.41) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7988613 0.92 MEN1 (0.40) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7988620 0.92 MEN1 (0.40) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004448 0.92 MEN1 (0.40) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004444 0.92 MEN1 (0.40) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004552 0.90 MEN1 (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004122 0.90 MAPT (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7988395 0.90 CNR1 (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7998901 0.90 CNR1 (0.44) 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