SCHEMBL8002264

SCHEMBL8002264

CCCCCCOc1c(OC(C)=O)c(=O)n(CC)c2cc(N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7998635 0.96 KDM4E (0.40) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8081155 0.93 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL8004658 0.93 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL8001304 0.93 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL8076763 0.91 PSEN1 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL7998638 0.91 PSEN1 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL7989312 0.90 ALDH1A1 (0.43) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8000570 0.90 ALDH1A1 (0.43) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL8004073 0.89 ALDH1A1 (0.42) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL7998315 0.89 ALDH1A1 (0.42) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT

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