SCHEMBL7998757

SCHEMBL7998757

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.39
GPR84 Q9NQS5 2/20 0.36
SRC P12931 1/20 0.36
HTR1B P28222 8/20 0.35
HTR1D P28221 7/20 0.35
GPR17 Q13304 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 2/20 0.34
HTR1A P08908 5/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL7988143 0.95 PARP1 (0.43) PARP1GPR84HTR1BHTR1DMAPT
SCHEMBL7988879 0.91 PARP1 (0.47) PARP1TSHRGPR84SRCHTR1B
SCHEMBL7988816 0.91 PARP1 (0.47) PARP1TSHRGPR84SRCHTR1B
SCHEMBL8004628 0.89 PARP1 (0.46) PARP1TSHRGPR84SRCHTR1B
SCHEMBL8001131 0.89 PARP1 (0.46) PARP1TSHRGPR84SRCHTR1B
SCHEMBL7998930 0.89 PARP1 (0.46) PARP1TSHRGPR84SRCHTR1B
SCHEMBL7988069 0.87 PARP1 (0.43) PARP1TSHRGPR84SRCHTR1B
SCHEMBL8004352 0.85 PARP1 (0.49) PARP1SRCHTR1BHTR1DGPR17
SCHEMBL7988426 0.85 PARP1 (0.38) PARP1TSHRGPR84SRCHTR1B
SCHEMBL8000822 0.85 PARP1 (0.43) PARP1TSHRGPR84SRCHTR1B

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