SCHEMBL7535820

SCHEMBL7535820

Cc1cn(C(=O)CNCCNC(=O)OC(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BCHE P06276 1/20 0.37
BRD4 O60885 3/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TK1 P04183 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
TK2 O00142 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8581766 0.81 ASAH1 (0.39) TK1
SCHEMBL7540436 0.79 TK1 (0.37) TK1
SCHEMBL7963556 0.76 CAMK2D (0.46) TK1TK2TDP1
SCHEMBL7535814 0.74 TK1 (0.35) TK1
SCHEMBL7197137 0.74 MEN1 (0.46) NPSR1TDP1
SCHEMBL16653120 0.73 TK1 (0.43) TK1
SCHEMBL23259029 0.73 LMNA (0.52) TK2
SCHEMBL7196623 0.72 TDP1 (0.42) NPSR1TDP1
SCHEMBL8541240 0.71 TK1 (0.46) TK1TK2
SCHEMBL13767351 0.70 MAOA (0.57) MAOAMAOBBCHEMALT1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734391-B1 PNA-DNA-PNA CHIMERIC MACROMOLECULES ISIS PHARMACEUTICALS INC (US) 2002-06-12 EP disclosed
EP-1201676-A2 PNA-DNA-PNA chimeric macromolecules ISIS PHARMACEUTICALS, INC. (US) 2002-05-02 EP disclosed
US-6277603-B1 PEPTIDE NUCLEIC ACID (PNA); THE DNA PORTION IS COMPOSED OF SUBUNITS OF AT LEAST ONE 2'-DEOXYNUCLEOTIDES; INCREASED NUCLEASE RESISTANCE; ACTIVATE RNASE H ENZYME, USE FOR IN VITRO MODIFICATION OF RNA ISIS PHARMACEUTICALS, INC. 2001-08-21 US disclosed
EP-0734391-A4 PNA-DNA-PNA CHIMERIC MACROMOLECULES ISIS PHARMACEUTICALS INC (US) 1998-02-25 EP disclosed
US-5700922-A INCREASED NUCLEASE RESISTANCE, INCREASED BINDING AFFINITY TO COMPLEMENTARY STRANDS; MEDICAL DIAGNOSIS, THERAPY ISIS PHARMACEUTICALS, INC. (US) 1997-12-23 US disclosed
US-5629152-A SYNTHETIC POLYPEPTIDES WITH DOUBLE HELICAL STRUCTURE, BINDING TO DNA AND RNA STRANDS, CONTAIN AZETIDINE RING ISIS PHARMACEUTICALS, INC. (US) 1997-05-13 US disclosed
EP-0734391-A1 PNA-DNA-PNA CHIMERIC MACROMOLECULES ISIS PHARMACEUTICALS, INC. (US) 1996-10-02 EP disclosed
WO-1995014706-A1 PNA-DNA-PNA CHIMERIC MACROMOLECULES ISIS PHARMACEUTICALS, INC. (US) 1995-06-01 WO disclosed