SCHEMBL8997787

SCHEMBL8997787

C/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TK2 O00142 5/20 0.44
TYMS P04818 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8997797 1.00 TK1 (0.49) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2639649 1.00 TK1 (0.49) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2639023 0.88 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL445632 0.88 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL445633 0.88 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
4'-Thiothymidine SCHEMBL23897630 0.82 TK1 (0.49) TK1BLMLMNA
4'-Thiothymidine SCHEMBL12642446 0.82 TK1 (0.49) TK1BLMLMNA
4'-Thiothymidine SCHEMBL9520953 0.82 TK1 (0.49) TK1BLMLMNA
4'-Thiothymidine SCHEMBL3517588 0.82 TK1 (0.49) TK1BLMLMNA
4'-Thiothymidine SCHEMBL1942500 0.82 TK1 (0.49) TK1BLMLMNA

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
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US claimed
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
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO disclosed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP disclosed