SCHEMBL8000809

SCHEMBL8000809

COc1c(OC(C)=O)c(=O)n(C)c2cc(N(C)C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB11 O95342 1/20 0.40
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
NLRP3 Q96P20 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
SCHEMBL8000647 0.88 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7997475 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7988494 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8004337 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8004335 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8001717 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8000787 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL8000536 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8000690 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7998548 0.78 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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 3 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