SCHEMBL7997928

SCHEMBL7997928

CCCCCCOc1c(OC(C)C)c(=O)[nH]c2cc(NC)ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UNG P13051 2/20 0.37
AR P10275 2/20 0.36
SERPINE1 P05121 5/20 0.36
GPR84 Q9NQS5 2/20 0.35
GPR17 Q13304 1/20 0.34
HTR1B P28222 3/20 0.32
GSK3B P49841 2/20 0.32
HTR1D P28221 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7999685 0.96 AR (0.38) UNGARSERPINE1GPR84MAPT
SCHEMBL7999975 0.88 UNG (0.39) UNGARSERPINE1GPR84GPR17
SCHEMBL7999593 0.85 UNG (0.37) UNGARSERPINE1GPR84GPR17
SCHEMBL7998757 0.84 PARP1 (0.41) GPR84GPR17HTR1BGSK3BHTR1D
SCHEMBL7997507 0.84 GPR17 (0.37) UNGARSERPINE1GPR17GSK3B
SCHEMBL8004437 0.83 AR (0.40) UNGARSERPINE1MAPTKDM4E
SCHEMBL8000773 0.81 AR (0.42) ARMAPTKDM4EALDH1A1
SCHEMBL8000793 0.81 PARP1 (0.45) SERPINE1MAPT
SCHEMBL7997203 0.81 AR (0.45) UNGARSERPINE1GPR84GPR17
SCHEMBL8004359 0.81 AR (0.40) UNGARSERPINE1MAPTKDM4E

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