SCHEMBL8000560

SCHEMBL8000560

CCCCCCOc1c(OCCCCCC)c2ccc(NCCCC)cc2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
ABL1 P00519 2/20 0.37
ATM Q13315 2/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CRBN Q96SW2 1/20 0.36
GSK3B P49841 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
PLEC Q15149 1/20 0.35

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
SCHEMBL8001104 0.99 AR (0.38) ARABL1ATMCYP1A2ADRA2A
SCHEMBL7988945 0.99 AR (0.38) ARABL1ATMCYP1A2ADRA2A
SCHEMBL7998318 0.98 ABL1 (0.40) ARABL1ATMCYP1A2ADRA2A
SCHEMBL7988276 0.97 ABL1 (0.39) ARABL1ATMADRA2AGSK3B
SCHEMBL8001557 0.95 AR (0.40) ARATMCYP1A2ADRA2ACRBN
SCHEMBL8004435 0.94 AR (0.37) ARABL1ATMCYP1A2ADRA2A
SCHEMBL7997315 0.94 AR (0.37) ARABL1ATMCYP1A2ADRA2A
SCHEMBL7998926 0.92 ABL1 (0.38) ARABL1ATMADRA2AGSK3B
SCHEMBL7999677 0.92 AR (0.35) ARABL1ATMCYP1A2ADRA2A
SCHEMBL8000732 0.90 AR (0.33) ARABL1ATMCYP1A2ADRA2A

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