SCHEMBL6581634

SCHEMBL6581634

CC(=O)Nc1ccc2c(c1)c(O)c(Oc1ccccc1)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.53
HIF1A Q16665 4/20 0.49
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
BRD4 O60885 3/20 0.46
LMNA P02545 1/20 0.45
G6PD P11413 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7977901 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6578834 0.81 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL6579112 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL28825720 0.78 NTRK1 (0.53) ALDH1A1KDM4EHPGDTP53SMN1; SMN2
SCHEMBL8001907 0.75 SMN1; SMN2 (0.51) ALDH1A1KDM4EGAAHIF1ATP53
SCHEMBL6578836 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHPGDHIF1A
SCHEMBL28211409 0.70 NTRK1 (0.56) TP53SMN1; SMN2NPC1BRD4MAPT
SCHEMBL19086664 0.70 HIF1A (0.71) ALDH1A1KDM4EGAAHIF1A
SCHEMBL19086870 0.70 NPC1 (0.53) ALDH1A1KDM4EGAAHIF1ANPC1
SCHEMBL13598012 0.69 NPC1 (0.67) ALDH1A1KDM4EHPGDHIF1ATP53

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed