SCHEMBL8000514

SCHEMBL8000514

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
RECQL P46063 1/20 0.34
PSMD14 O00487 1/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL7997884 0.96 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997240 0.96 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8001113 0.93 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8001108 0.93 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7998876 0.91 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997009 0.91 CNR1 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997461 0.91 CYP1A2 (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997227 0.90 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8004158 0.90 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7989131 0.90 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E

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