SCHEMBL4565908

SCHEMBL4565908

CC(C)(CNC(=O)OC(C)(C)C)CNc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
JAK1 P23458 1/20 0.43
LATS1 O95835 1/20 0.43
KDM4A O75164 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
BCHE P06276 1/20 0.39
SYK P43405 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.38
DRD2 P14416 1/20 0.38
NAMPT P43490 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL25859374 0.85 HDAC1 (0.50) HDAC1LMNAPOLBKDM4AMALT1
SCHEMBL29655427 0.83 MALT1 (0.54) HDAC1LMNAPOLBKDM4AMALT1
SCHEMBL2975056 0.83 MALT1 (0.54) HDAC1LMNAPOLBKDM4AMALT1
SCHEMBL3993854 0.83 HDAC1 (0.41) HDAC1LMNA
SCHEMBL22605515 0.81 BRD4 (0.49) HDAC1MALT1BCHEBRD4DRD2
SCHEMBL23997305 0.80 HDAC1 (0.63) HDAC1KDM4ANAMPT
SCHEMBL30336954 0.80 HDAC1 (0.63) HDAC1KDM4ANAMPT
SCHEMBL22121240 0.80 HDAC1 (0.49) HDAC1LMNAPOLBKDM4AMALT1
SCHEMBL28514702 0.79 IDO1 (0.47) HDAC1LMNAMALT1BCHEIDO1
SCHEMBL21071330 0.78 ADORA2A (0.47) HDAC1LMNAPOLBMALT1BCHE

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-1778231-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed