SCHEMBL11204017

SCHEMBL11204017

CN(C)c1ccc(C(=O)O[C@H]2C[C@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)O[C@@H]2CO)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.62
TK1 P04183 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TK2 O00142 8/20 0.50
TYMS P04818 1/20 0.47
POLB P06746 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
SCHEMBL11198667 0.92 RNASE1 (0.52) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11200741 0.91 RNASE1 (0.70) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11200745 0.91 RNASE1 (0.70) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11200750 0.91 RNASE1 (0.70) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11201280 0.85 TK1 (0.59) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11201271 0.85 TK1 (0.59) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11201275 0.85 TK1 (0.59) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11288942 0.84 TK1 (0.70) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11288948 0.84 TK1 (0.70) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11288944 0.84 TK1 (0.70) RNASE1TK1CYP1A2CYP3A4TSHR

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-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