SCHEMBL7998946

SCHEMBL7998946

CCCCCCOc1c(O)c2ccc(NC(C)=O)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
SERPINE1 P05121 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GSK3B P49841 2/20 0.42
KIF11 P52732 1/20 0.42
USP2 O75604 1/20 0.40

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
SCHEMBL7998867 0.87 AR (0.43) ALDH1A1HPGDSERPINE1KDM4EHSD17B10
SCHEMBL7997292 0.87 AR (0.43) ALDH1A1HPGDSERPINE1KDM4EHSD17B10
SCHEMBL8004780 0.82 AR (0.44) ALDH1A1HPGDSERPINE1KDM4EHSD17B10
SCHEMBL7988466 0.81 MAOA (0.53) MAOAERCC1FEN1ERCC4ALDH1A1
SCHEMBL8001710 0.81 GSK3B (0.43) ALDH1A1HPGDKDM4EHSD17B10GSK3B
SCHEMBL7997301 0.81 GSK3B (0.43) ALDH1A1HPGDKDM4EHSD17B10GSK3B
SCHEMBL7997507 0.77 GPR17 (0.37) ALDH1A1SERPINE1KDM4EGSK3B
SCHEMBL6579035 0.77 NPC1 (0.46) ALDH1A1HPGDKDM4EHSD17B10GSK3B
SCHEMBL7992045 0.77 PARP1 (0.48) SERPINE1
SCHEMBL7999303 0.77 PARP1 (0.48) SERPINE1

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