SCHEMBL7999577

SCHEMBL7999577

CCCCNc1ccc2c(OCCCC)c(OC(C)C)c(=O)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
LMNA P02545 3/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 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
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRPF1 P55201 2/20 0.34
TP53 P04637 1/20 0.34
CRBN Q96SW2 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
SCHEMBL7999677 0.96 AR (0.35) ARLMNAATMMAPK1NPSR1
SCHEMBL8001557 0.91 AR (0.40) ARLMNAATMMAPK1NPSR1
SCHEMBL7997567 0.90 AR (0.37) ARLMNAATMMAPK1NPSR1
SCHEMBL7988945 0.88 AR (0.38) ARLMNAATMMAPK1NPSR1
SCHEMBL8001104 0.88 AR (0.38) ARLMNAATMMAPK1NPSR1
SCHEMBL8002087 0.87 TP53 (0.33) ARLMNAATMMAPK1NPSR1
SCHEMBL8002068 0.87 ADRA2A (0.40) LMNAMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8000560 0.87 AR (0.39) ARLMNAATMMAPK1NPSR1
SCHEMBL7988001 0.86 GSK3B (0.38) ARLMNAATMMAPK1NPSR1
SCHEMBL7999110 0.86 AR (0.34) ARLMNAATMMAPK1NPSR1

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 3 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