SCHEMBL9780832

SCHEMBL9780832

CCc1cn([C@@H]2CC(OCc3ccccc3)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.44
RNASE1 P07998 1/20 0.43
TYMP P19971 1/20 0.42
TYMS P04818 1/20 0.42

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
SCHEMBL9780827 1.00 TK1 (0.44) TK1RNASE1TYMPTYMS
SCHEMBL9780967 0.92 TK1 (0.46) TK1RNASE1TYMP
SCHEMBL9780963 0.92 TK1 (0.46) TK1RNASE1TYMP
SCHEMBL9100246 0.88 HSP90AA1 (0.54) TK1RNASE1TYMPTYMS
SCHEMBL10694464 0.88 TYMS (0.44) TK1RNASE1TYMPTYMS
SCHEMBL9100241 0.88 HSP90AA1 (0.54) TK1RNASE1TYMPTYMS
SCHEMBL10694460 0.88 TYMS (0.44) TK1RNASE1TYMPTYMS
SCHEMBL10694863 0.88 TK1 (0.47) TK1RNASE1TYMPTYMS
SCHEMBL10693954 0.88 TK1 (0.47) TK1RNASE1TYMPTYMS
SCHEMBL10693997 0.87 LMNA (0.50) TK1RNASE1TYMPTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed