SCHEMBL7989452

SCHEMBL7989452

CCCCCCn1c(=O)c(OC)c(O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CNR2 P34972 5/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
CNR1 P21554 2/20 0.43
ACHE P22303 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7998971 1.00 MAPT (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL8004065 0.96 KDM4E (0.44) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL7997703 0.92 MAPT (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL7989022 0.92 MAPT (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL6578992 0.92 MAPT (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL8001065 0.91 MAPT (0.48) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL7988860 0.91 CNR2 (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL8004570 0.91 CNR2 (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL8004184 0.91 CNR2 (0.49) MAPTMEN1KMT2ACNR2KDM4E
SCHEMBL7997111 0.91 CNR2 (0.49) MAPTMEN1KMT2ACNR2KDM4E

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