SCHEMBL2153131

SCHEMBL2153131

COC(=O)CCN(C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.37
TYMP P19971 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPK1 P28482 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
SCHEMBL8642049 0.87 TK1 (0.39) TK1TYMPKMT2AMAPK1
SCHEMBL2153594 0.81 TK1 (0.39) TK1TYMPSMN1; SMN2KMT2AMAPK1
SCHEMBL2161843 0.81 TK1 (0.39) TK1TYMPSMN1; SMN2KMT2AMAPK1
SCHEMBL9328006 0.80 TK1 (0.37) TK1TYMP
SCHEMBL2153170 0.80 TK1 (0.37) TK1TYMP
SCHEMBL2685934 0.80 TK1 (0.37) TK1TYMP
SCHEMBL6924145 0.77 TK1 (0.37) TK1TYMPSMN1; SMN2KMT2AMAPK1
SCHEMBL6513732 0.76 TK1 (0.38) TK1TYMPKMT2A
SCHEMBL6931032 0.76 TK1 (0.38) TK1TYMPKMT2A
SCHEMBL8645218 0.76 TK1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074559-B1 Peptide nucleic acids BUCHARDT OLE (DK) 2011-07-06 EP disclosed