SCHEMBL8997837

SCHEMBL8997837

Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)S2)cc1/C=C/Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.40
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TK2 O00142 3/20 0.36
ALB P02768 1/20 0.34
DNMT1 P26358 6/20 0.33
ADRB1 P08588 1/20 0.33
LMNA P02545 2/20 0.30
MTOR P42345 2/20 0.30
THRB P10828 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2640083 1.00 TK1 (0.40) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2036187 0.80 ALB (0.53) ALBDNMT1ADRB1LMNA
SCHEMBL9149293 0.80 ALB (0.53) ALBDNMT1ADRB1LMNA
SCHEMBL12642437 0.80 ALB (0.37) BLMPMP22ALBDNMT1ADRB1
SCHEMBL445633 0.77 TK1 (0.64) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2639023 0.77 TK1 (0.64) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL445632 0.77 TK1 (0.64) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2584404 0.77 TK1 (0.43) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL2584408 0.77 TK1 (0.43) TK1BLMPMP22CYP1A2CYP3A4
SCHEMBL6359874 0.77 TK1 (0.64) TK1BLMPMP22CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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