SCHEMBL7988435

SCHEMBL7988435

CC=C(CC)Oc1c(O)c(=O)n(CCCCCC)c2cc(N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 4/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37

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
SCHEMBL8001125 1.00 TYMS (0.41) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7999324 0.96 ALDH1A1 (0.38) TYMSKDM4EMAPTALDH1A1CNR2
SCHEMBL7989073 0.89 KDM4E (0.41) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7989014 0.89 KDM4E (0.41) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7988859 0.88 MAPT (0.39) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7999774 0.88 MAPT (0.39) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7989274 0.88 MAPT (0.39) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL7999395 0.88 MAPT (0.39) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL8001049 0.88 MAPT (0.39) TYMSKDM4EMAPTHTTMAPK1
SCHEMBL8004787 0.88 MAPT (0.39) TYMSKDM4EMAPTHTTMAPK1

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