SCHEMBL6065649

SCHEMBL6065649

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TYMP P19971 3/20 0.42
MAPK1 P28482 1/20 0.40
TK1 P04183 3/20 0.39

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
SCHEMBL7529481 0.89 HPGD (0.43) HPGDTYMPMAPK1TK1
SCHEMBL6837969 0.84 TYMP (0.41) HPGDTYMPMAPK1TK1
SCHEMBL8343325 0.79 ALDH1A1 (0.43)
SCHEMBL456749 0.77 HPGD (0.57) HPGDTYMPMAPK1TK1
SCHEMBL6837655 0.77 TYMP (0.43) HPGDTYMPMAPK1TK1
SCHEMBL7529489 0.77 HPGD (0.43) HPGDTYMPMAPK1TK1
SCHEMBL5349908 0.75 TK1 (0.39) HPGDTK1
SCHEMBL28985698 0.74 MAPK1 (0.49) HPGDTYMPMAPK1TK1
SCHEMBL157965 0.74 TK2 (0.46) TK1
SCHEMBL3931655 0.74 TK2 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095601-B2 Cell permeable nanoconjugates of shell-crosslinked knedel (SCK) and peptide nucleic acids (“PNAs”) with uniquely expressed or over-expressed mRNA targeting sequences for early diagnosis and therapy of cancer WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2015-08-04 US disclosed
US-20130230452-A1 CELL PERMEABLE NANOCONJUGATES OF SHELL-CROSSLINKED KNEDEL (SCK) AND PEPTIDE NUCLEIC ACIDS (\"PNAs\") WITH UNIQUELY EXPRESSED OR OVER-EXPRESSED mRNA TARGETING SEQUENCES FOR EARLY DIAGNOSIS AND THERAPY OF CANCER WASHINGTON UNIVERSITY (US) 2013-09-05 US disclosed
US-8354093-B2 Cell permeable nanoconjugates of shell-crosslinked knedel (SCK) and peptide nucleic acids (“PNAs”) with uniquely expressed or over-expressed mRNA targeting sequences for early diagnosis and therapy of cancer WASHINGTON UNIVERSITY (US) 2013-01-15 US disclosed
US-20060159619-A1 Cell permeable nanoconjugates of shell-crosslinked knedel (SCK) and peptide nucleic acids (\"PNAs\") with uniquely expressed or over-expressed mRNA targeting sequences for early diagnosis and therapy of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-07-20 US disclosed
EP-0761681-B1 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AG (DE) 2002-03-13 EP disclosed
US-5977296-A MONOMERS WITH ALIPHATIC CYCLIC STRUCTURE IN THE BACKBONE; FOR INCREASED CONFORMATION RESTRICTION LEADING TO INCREASED BINDING AFFINITY AND SPECIFICITY; FOR DETECTING POINT MUTATIONS, FOR SUPPRESSING WILD TYPE GENES IN AMPLIFICATION NIELSEN, PETER E. (DK) 1999-11-02 US disclosed
US-5817811-A AMIDATION OF THE CORRESPOND ESTERIFIED AMINE COMPOUND WITH A CARBOXYLATED NUCLEOTIDE BASE HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0761681-A2 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed
WO-1996020212-A2 PEPTIDE NUCLEIC ACID INCORPORATING A CHIRAL BACKBONE BUCHARDT, DORTE (DK) 1996-07-04 WO disclosed