SCHEMBL7535823

SCHEMBL7535823

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.35
MAPK1 P28482 1/20 0.34
TYMP P19971 4/20 0.34
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK5 Q16478 1/20 0.32
HPGD P15428 1/20 0.32
SQOR Q9Y6N5 1/20 0.31

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
SCHEMBL8582295 0.82 SQOR (0.38) TK1TYMPSQOR
SCHEMBL7535825 0.80 TK1 (0.35) TK1MAPK1TYMPHPGDSQOR
SCHEMBL7540436 0.73 TK1 (0.37) TK1MAPK1TYMP
SCHEMBL7535814 0.73 TK1 (0.35) TK1MAPK1TYMPHPGDSQOR
SCHEMBL16653120 0.72 TK1 (0.43) TK1MAPK1TYMPHPGD
SCHEMBL12380900 0.68 GRIA1 (0.48) GRIA1GRIA2GRIA4GRIK5
SCHEMBL12380902 0.68 GRIA1 (0.39) TK1MAPK1TYMPGRIA1GRIA2
SCHEMBL16260046 0.68 TYMP (0.46) TK1MAPK1TYMPHPGD
SCHEMBL6065649 0.68 HPGD (0.42) TK1MAPK1TYMPHPGD
SCHEMBL7535820 0.67 MAOA (0.39) TK1

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 7 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
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