SCHEMBL460946

SCHEMBL460946

CCOC(=O)CN(CC(NC(=O)OC(C)(C)C)n1cnc2c(NCCCNC(=O)OCc3ccccc3)[nH]c(=O)nc21)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SYK P43405 1/20 0.34
BRD4 O60885 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL459411 0.94 MAPT (0.41) MAPTKLK7KLK5L3MBTL1POLB
SCHEMBL458953 0.84 CCNE2 (0.36) MAPTL3MBTL1POLBMAPK1SYK
SCHEMBL460716 0.82 MAPT (0.36) MAPTKLK7KLK5L3MBTL1POLB
SCHEMBL459081 0.76 MAPT (0.37) MAPTKLK7KLK5L3MBTL1POLB
SCHEMBL458787 0.76 CCNE2 (0.36) MAPTMAPK1SYKTDP1CCNE2
SCHEMBL10077228 0.74 SYK (0.36) MAPTL3MBTL1POLBMAPK1SYK
SCHEMBL3669146 0.73 RXFP1 (0.34) MAPTL3MBTL1SYKCCNE2CCNE1
SCHEMBL459649 0.72 CCNE2 (0.34) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL459585 0.72 CCNA2 (0.39) MAPTKLK5MAPK1SYKCCNE2
SCHEMBL432254 0.69 CCNE2 (0.40) MAPTBRD4CCNE2CCNE1CDK2

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-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed