SCHEMBL4664992

SCHEMBL4664992

CC(C)COC(=O)N1CCC(c2n[nH]c3c(C(N)=O)nc(-c4ccccc4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 3/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPC3 Q13507 2/20 0.36
TRPC7 Q9HCX4 2/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
JAK1 P23458 2/20 0.36
KDM5A P29375 1/20 0.36

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
SCHEMBL4665016 0.85 HTT (0.48) ALDH1A1KDM4EHPGDHSD17B10JAK2
SCHEMBL4664870 0.85 TLR9 (0.38) ALDH1A1KDM4EHPGDHSD17B10JAK2
SCHEMBL4666734 0.85 IKBKB (0.48) ALDH1A1KDM4EHPGDHSD17B10JAK2
SCHEMBL3989409 0.85 IKBKB (0.46) JAK2TLR9TLR8TLR7JAK1
SCHEMBL4664952 0.82 IKBKB (0.51) KDM4EJAK2
SCHEMBL3988315 0.79 TLR9 (0.40) ALDH1A1KDM4EHPGDHSD17B10JAK2
SCHEMBL3987328 0.78 MAP4K4 (0.39) JAK2TLR9TLR8TLR7GPR119
SCHEMBL4663358 0.78 IKBKB (0.43) JAK2
SCHEMBL3989890 0.77 TLR9 (0.39) ALDH1A1KDM4EHSD17B10JAK2TLR9
SCHEMBL3994799 0.76 TLR9 (0.38) JAK2TLR9TLR8TLR7GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed