SCHEMBL7997645

SCHEMBL7997645

CCCCCCCCn1c(=O)c(OCC(C)CCC)c(O)c2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CNR2 P34972 2/20 0.38
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8004095 1.00 TYMS (0.41) TYMSKDM4EMAPTHTTALDH1A1
SCHEMBL7997483 0.96 KDM4E (0.39) TYMSKDM4EMAPTHTTALDH1A1
SCHEMBL7999464 0.89 SRC (0.38) KDM4EMAPTHTTALDH1A1MAPK1
SCHEMBL7997669 0.88 MEN1 (0.39) TYMSKDM4EMAPTHTTALDH1A1
SCHEMBL8074633 0.88 MEN1 (0.39) TYMSKDM4EMAPTHTTALDH1A1
SCHEMBL7988420 0.88 KDM4E (0.38) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7997335 0.88 KDM4E (0.38) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL8001297 0.88 MEN1 (0.39) TYMSKDM4EMAPTHTTALDH1A1
SCHEMBL7998969 0.88 MEN1 (0.39) TYMSKDM4EMAPTHTTALDH1A1
SCHEMBL7997334 0.87 KDM4E (0.46) TYMSKDM4EMAPTHTTALDH1A1

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