SCHEMBL5358371

SCHEMBL5358371

COC(=O)[C@H](CO)N(CC(N)C(=O)OC(C)(C)C)C(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.37
TYMP P19971 2/20 0.36
TK2 O00142 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
HPGD P15428 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
SCHEMBL6928564 0.90 TK1 (0.38) TK1TYMPTK2KMT2AMAPK1
SCHEMBL6924148 0.90 TK1 (0.38) TK1TYMPTK2KMT2AMAPK1
SCHEMBL6924149 0.85 TK1 (0.39) TK1TYMPTK2KMT2AHPGD
SCHEMBL6931042 0.85 TK1 (0.39) TK1TYMPTK2KMT2AHPGD
SCHEMBL5358378 0.83 TK1 (0.36) TK1TYMPTK2KMT2AMAPK1
SCHEMBL8135550 0.83 TK1 (0.37) TK1TYMPTK2KMT2AHPGD
SCHEMBL8150170 0.80 TK1 (0.41) TK1TK2KMT2AMAPK1HPGD
SCHEMBL5349908 0.80 TK1 (0.39) TK1TK2KMT2AHPGD
SCHEMBL5366400 0.79 KMT2A (0.40) TK1TYMPKMT2AMAPK1
SCHEMBL6468180 0.77 TK1 (0.37) TK1TYMPKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed