SCHEMBL3864729

SCHEMBL3864729

CC1(C)NC(=O)CCC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
SRD5A2 P31213 1/20 0.32
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC1 Q13547 1/20 0.31
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 1/20 0.30

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
SCHEMBL7994230 0.83 SLC1A2 (0.37) DDB1CRBNSRD5A2HSD11B1
SCHEMBL4762294 0.70 RGS12 (0.31)
SCHEMBL29205773 0.68 KDM4E (0.32) KMT2A
SCHEMBL23855133 0.63 CRBN (0.50) DDB1CRBNMEN1APEX1KMT2A
SCHEMBL30684479 0.63 PARP1 (0.37) DDB1CRBNKMT2AHDAC1
SCHEMBL3128245 0.61
SCHEMBL158857 0.61
SCHEMBL992630 0.61
SCHEMBL938236 0.61
SCHEMBL238946 0.61

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
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO disclosed