SCHEMBL8000787

SCHEMBL8000787

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB11 O95342 1/20 0.42
TTR P02766 2/20 0.40
NLRP3 Q96P20 1/20 0.39
BRPF1 P55201 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PDE3B Q13370 2/20 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
SCHEMBL8002125 0.95 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7997999 0.87 BRPF1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL8004333 0.86 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8002253 0.85 TTR (0.46) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8001889 0.84 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8001540 0.83 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7988302 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7997828 0.82 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7988525 0.82 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7988520 0.82 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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