SCHEMBL8000680

SCHEMBL8000680

CCCCCCn1c(=O)c(OC(C)=O)c(OCC)c2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYMS P04818 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7997247 1.00 KDM4E (0.42) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL7989157 0.96 KDM4E (0.41) KDM4EMAPK1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL8081155 0.94 KDM4E (0.42) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL8004658 0.94 KDM4E (0.42) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL8076763 0.94 PSEN1 (0.42) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL7998638 0.94 PSEN1 (0.42) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL8001304 0.92 KDM4E (0.40) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL8004458 0.91 KDM4E (0.45) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL7988439 0.91 KDM4E (0.45) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL8001007 0.89 KDM4E (0.41) KDM4EMAPK1NPSR1PSEN1PSEN2

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 5 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
WO-2000009115-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO 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