SCHEMBL8300811

SCHEMBL8300811

Cc1cn([C@H]2C[C@@H](OC(=O)O)N(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.38
RNASE1 P07998 1/20 0.38
PARP1 P09874 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL8304128 1.00 TK1 (0.38) TK1RNASE1PARP1HSD11B1
SCHEMBL8298156 1.00 TK1 (0.38) TK1RNASE1PARP1HSD11B1
SCHEMBL8298155 0.85 TK1 (0.39) TK1RNASE1PARP1HSD11B1
SCHEMBL8300808 0.85 TK1 (0.39) TK1RNASE1PARP1HSD11B1
SCHEMBL8304127 0.85 TK1 (0.39) TK1RNASE1PARP1HSD11B1
SCHEMBL8646363 0.85 TK1 (0.39) TK1RNASE1PARP1HSD11B1
SCHEMBL8303221 0.79 CYP1A2 (0.39) TK1
SCHEMBL8639265 0.71 SRC (0.43)
SCHEMBL8304914 0.71 SRC (0.43)
SCHEMBL13956884 0.69 DRD2 (0.37) TK1RNASE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646596-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1999-05-26 EP disclosed
EP-0646596-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed