SCHEMBL11200495

SCHEMBL11200495

C[Si](C)(C)OC[C@H]1O[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TK2 O00142 6/20 0.49
TYMS P04818 1/20 0.44
RNASE1 P07998 1/20 0.40

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
SCHEMBL3087407 0.82 TK1 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3079659 0.80 TK1 (0.66) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3079661 0.80 TK1 (0.66) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11118415 0.79 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11118409 0.79 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3089586 0.79 TK1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3085003 0.79 TK1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3084999 0.79 TK1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3089583 0.79 TK1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3078242 0.79 TK1 (0.74) TK1CYP1A2CYP3A4TSHRBLM

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-0095294-A1 Deoxyuridine compounds, methods for preparing them and their use in medicine BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed
EP-0082668-A1 5-(2-Halogenovinyl)-2'-deoxyuridine derivatives, processes for their preparation, pharmaceutical compositions containing them and their use in treating viral infections BEECHAM GROUP PLC (GB) 1983-06-29 EP disclosed