SCHEMBL8004628

SCHEMBL8004628

CCCCCCCCOc1c(OCCCC)c2ccc(N)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
TSHR P16473 1/20 0.43
GPR17 Q13304 1/20 0.42
HTR1A P08908 6/20 0.42
HTR1D P28221 6/20 0.42
HTR1B P28222 6/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 1/20 0.42
CYP2C19 P33261 1/20 0.42
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7998930 1.00 PARP1 (0.46) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL8001131 1.00 PARP1 (0.46) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL7988879 0.99 PARP1 (0.47) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL7988816 0.99 PARP1 (0.47) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL8004352 0.96 PARP1 (0.49) PARP1GPR17HTR1AHTR1DHTR1B
SCHEMBL8000822 0.93 PARP1 (0.43) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL7988069 0.93 PARP1 (0.43) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL8001892 0.93 PARP1 (0.43) PARP1TSHRGPR17HTR1AHTR1D
SCHEMBL8001410 0.90 PARP1 (0.46) PARP1MAPTKDM4ENPSR1CNR2
SCHEMBL8001244 0.90 PARP1 (0.46) PARP1GPR17HTR1AHTR1DHTR1B

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