SCHEMBL4428309

SCHEMBL4428309

Cc1ccc2sc(C(=O)NCCOc3ccc(C(N)=O)c(O)c3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CLK1 P49759 6/20 0.45
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39

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
SCHEMBL4426499 0.90 CLK1 (0.57) CLK1CLK2DYRK1ACLK4
SCHEMBL5807938 0.86 MEN1 (0.48) POLBMEN1KMT2ACLK1MAPT
SCHEMBL445237 0.80 NPC1 (0.57) POLBMEN1KMT2ACLK1LMNA
SCHEMBL4255195 0.77 NPC1 (0.51) POLBMEN1KMT2ACLK1LMNA
SCHEMBL448395 0.77 NPC1 (0.53) POLBCLK1LMNAGAAMAPT
SCHEMBL5794058 0.76 SLC9A1 (0.45) POLBMEN1KMT2ALMNAMAPT
SCHEMBL4252178 0.74 NPC1 (0.47) POLBMEN1KMT2ACLK1LMNA
SCHEMBL17149303 0.70 HDAC1 (0.58) POLBMEN1KMT2ACLK1LMNA
SCHEMBL21446821 0.70 F10 (0.54) POLBMEN1KMT2ACLK1LMNA
SCHEMBL445756 0.69 CLK1 (0.61) CLK1NPC1CLK2DYRK1ACLK4

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-2099442-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2009-09-16 EP disclosed
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO disclosed