SCHEMBL8997876

SCHEMBL8997876

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](C3OS3)O2)cc1/C=C/Br

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
TSHR P16473 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TK2 O00142 5/20 0.49
TYMS P04818 1/20 0.46
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NT5C Q8TCD5 1/20 0.41
NT5M Q9NPB1 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
SCHEMBL3090870 0.82 TK1 (0.72) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3090867 0.82 TK1 (0.72) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL4283383 0.80 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL99350 0.80 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL5983819 0.80 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL1172398 0.80 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3066358 0.80 TK1 (0.83) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL4283382 0.80 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL21316784 0.80 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
Brivudine SCHEMBL13674189 0.80 TK1 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO claimed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP claimed
US-5521163-A TREATMENT OF HERPES VIRUS WITH 1'-DEOXY-5-ETHYL-4'-THIO-BETA URIDINE UNIVERSITY OF BIRMINGHAM (GB) 1996-05-28 US disclosed
EP-0658166-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES THE UNIVERSITY OF BIRMINGHAM (GB) 1995-06-21 EP disclosed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
WO-1994005687-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO disclosed
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO disclosed