SCHEMBL8004476

SCHEMBL8004476

CCCCCCOc1c(O)c(=O)[nH]c2cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
GSK3B P49841 3/20 0.41
GPR84 Q9NQS5 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
GPR17 Q13304 1/20 0.39
CNR2 P34972 1/20 0.38
SRC P12931 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
SCHEMBL8004454 0.95 PARP1 (0.46) PARP1GSK3BGPR84TSHRALDH1A1
SCHEMBL7997301 0.90 GSK3B (0.43) PARP1GSK3BGPR84TSHRALDH1A1
SCHEMBL8001710 0.90 GSK3B (0.43) PARP1GSK3BGPR84TSHRALDH1A1
SCHEMBL7988816 0.89 PARP1 (0.47) PARP1GPR84TSHRALDH1A1KDM4E
SCHEMBL7988879 0.89 PARP1 (0.47) PARP1GPR84TSHRALDH1A1KDM4E
SCHEMBL8001131 0.88 PARP1 (0.46) PARP1GPR84TSHRALDH1A1KDM4E
SCHEMBL7998930 0.88 PARP1 (0.46) PARP1GPR84TSHRALDH1A1KDM4E
SCHEMBL8004628 0.88 PARP1 (0.46) PARP1GPR84TSHRALDH1A1KDM4E
SCHEMBL8000822 0.85 PARP1 (0.43) PARP1GPR84TSHRALDH1A1KDM4E
SCHEMBL7988069 0.85 PARP1 (0.43) PARP1GPR84TSHRALDH1A1KDM4E

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