SCHEMBL7997313

SCHEMBL7997313

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 2/20 0.37
PSMD14 O00487 1/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
SRC P12931 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 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
SCHEMBL8001589 0.96 MAPT (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8001368 0.96 MAPT (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8001566 0.92 MAPT (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8001569 0.92 MAPT (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8001544 0.90 CYP1A2 (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL7998876 0.90 MAPT (0.42) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7997009 0.90 CNR1 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8004448 0.89 MEN1 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7988620 0.89 MEN1 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8004444 0.89 MEN1 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E

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