SCHEMBL8001373

SCHEMBL8001373

CC=C(CC)Oc1c(O)c(=O)n(CCCCCC)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CNR2 P34972 6/20 0.43
CNR1 P21554 3/20 0.43
ACHE P22303 3/20 0.43
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
SRC P12931 1/20 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
SCHEMBL8001594 1.00 MAPT (0.45) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997318 0.96 CNR2 (0.40) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7999428 0.90 MAPT (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004125 0.90 MAPT (0.44) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997055 0.89 CNR2 (0.46) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8001180 0.89 CNR1 (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7998907 0.89 CNR1 (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7988399 0.89 CNR1 (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8000902 0.89 CNR1 (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004556 0.89 CNR2 (0.46) 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