SCHEMBL6837658

SCHEMBL6837658

Cc1cn(CC(=O)N(C[C]=O)CCO)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
TYMP P19971 2/20 0.39
TK1 P04183 2/20 0.38

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
SCHEMBL3918733 0.89 KMT2A (0.39) MAPK1KMT2AHPGDTYMPTK1
SCHEMBL7550172 0.85 TK1 (0.39) MAPK1KMT2AHPGDTK1
SCHEMBL7529489 0.84 HPGD (0.43) MAPK1HPGDTYMPTK1
SCHEMBL3918640 0.83 TK1 (0.41) MAPK1HPGDTYMPTK1
SCHEMBL8720371 0.82 KMT2A (0.47) MAPK1KMT2AHPGDTYMPTK1
SCHEMBL8725737 0.82 KMT2A (0.39) MAPK1KMT2AHPGDTYMPTK1
SCHEMBL8645221 0.79 TK1 (0.42) MAPK1KMT2AHPGDTYMPTK1
SCHEMBL6837655 0.79 TYMP (0.43) MAPK1KMT2AHPGDTYMPTK1
SCHEMBL6837969 0.77 TYMP (0.41) MAPK1KMT2AHPGDTYMPTK1
SCHEMBL3924762 0.76 TK1 (0.39) MAPK1HPGDTYMPTK1

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
US-6756199-B1 USED FOR THE SYNTHESIS OF BOTH PREDEFINED AND RANDOM SEQUENCE PEPTIDE NUCLEIC ACID OLIGOMERS ISIS PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-6204326-B1 ADDING PEPTIDE NUCLEIC ACID UNITS TO AN AMINE TERMINATED PEPTIDE NUCLEIC ACID OLIGOMER ON A SOLID PHASE SYNTHETIC RESIN; BIOSYNTHESIS ISIS PHARMACEUTICALS, INC. 2001-03-20 US disclosed
EP-0777678-B1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS INC (US) 1999-10-13 EP disclosed
US-5539083-A FROM HALOACETYL HALIDE OR SULFONYLACETYL HALIDE, PROTECTED ALKYLENEDIAMINE, AND A DERIVATIVE OF A NUCLEIC ACID BASE ISIS PHARMACEUTICALS, INC. (US) 1996-07-23 US disclosed