SCHEMBL8997858

SCHEMBL8997858

O=c1[nH]c(=O)n([C@H]2CC(O)[C@H](CO)S2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.52
TK1 P04183 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX12 P18054 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL8997855 1.00 PYGM (0.52) PYGMTK1SMN1; SMN2ALDH1A1POLB
SCHEMBL2639231 1.00 PYGM (0.52) PYGMTK1SMN1; SMN2ALDH1A1POLB
4'-Thiothymidine SCHEMBL9520953 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
4'-Thiothymidine SCHEMBL12642446 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
SCHEMBL8997755 0.84 PYGM (0.52) PYGMTK1SMN1; SMN2LMNACYP1A2
4'-Thiothymidine SCHEMBL23897630 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
4'-Thiothymidine SCHEMBL23897578 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
SCHEMBL8966488 0.84 LMNA (0.57) TK1SMN1; SMN2LMNATSHRPMP22
4'-Thiothymidine SCHEMBL3517588 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
4'-Thiothymidine SCHEMBL6311407 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM

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 8 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-1994005686-A1 ANOMERISATION PROCESS UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 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-1994005686-A1 ANOMERISATION PROCESS UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO 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