SCHEMBL7540436

SCHEMBL7540436

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.37
TYMP P19971 1/20 0.34
GLA P06280 1/20 0.34
EPHX2 P34913 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
AAK1 Q2M2I8 1/20 0.32
MAPK1 P28482 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL8584030 0.82 SQOR (0.38) TK1
SCHEMBL7535820 0.79 MAOA (0.39) TK1
SCHEMBL7535823 0.73 TK1 (0.35) TK1TYMPMAPK1
SCHEMBL7535814 0.73 TK1 (0.35) TK1TYMPMAPK1
SCHEMBL16653120 0.72 TK1 (0.43) TK1TYMPMAPK1
SCHEMBL7197137 0.69 MEN1 (0.46)
SCHEMBL27811029 0.68 PPARA (0.47)
SCHEMBL8646265 0.68 CYP2D6 (0.51) CA1CA2CA7
SCHEMBL2166916 0.68 CA1 (0.49) CA1CA2CA7
SCHEMBL2685934 0.68 TK1 (0.37) TK1TYMP

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 4 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
US-5700922-A INCREASED NUCLEASE RESISTANCE, INCREASED BINDING AFFINITY TO COMPLEMENTARY STRANDS; MEDICAL DIAGNOSIS, THERAPY ISIS PHARMACEUTICALS, INC. (US) 1997-12-23 US disclosed