SCHEMBL10694863

SCHEMBL10694863

O=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1I

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.47
BCHE P06276 3/20 0.44
TYMP P19971 1/20 0.43
TYMS P04818 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RNASE1 P07998 1/20 0.41

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
SCHEMBL10693954 1.00 TK1 (0.47) TK1BCHETYMPTYMSHSP90AA1
SCHEMBL10483794 0.90 TK1 (0.48) TK1BCHETYMPTYMSHSP90AA1
SCHEMBL10483796 0.90 TK1 (0.48) TK1BCHETYMPTYMSHSP90AA1
SCHEMBL9100246 0.89 HSP90AA1 (0.54) TK1TYMPTYMSHSP90AA1RNASE1
SCHEMBL10694464 0.89 TYMS (0.44) TK1TYMPTYMSHSP90AA1RNASE1
SCHEMBL9100241 0.89 HSP90AA1 (0.54) TK1TYMPTYMSHSP90AA1RNASE1
SCHEMBL10694460 0.89 TYMS (0.44) TK1TYMPTYMSHSP90AA1RNASE1
SCHEMBL9780827 0.88 TK1 (0.44) TK1TYMPTYMSRNASE1
SCHEMBL9780832 0.88 TK1 (0.44) TK1TYMPTYMSRNASE1
SCHEMBL10693997 0.88 LMNA (0.50) TK1TYMPTYMSHSP90AA1RNASE1

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-0252989-A1 2'-DEOXY-5-TRIFLUOROMETHYLURIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-01-20 EP disclosed