SCHEMBL8997855

SCHEMBL8997855

O=c1[nH]c(=O)n([C@H]2C[C@H](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
SCHEMBL2639231 1.00 PYGM (0.52) PYGMTK1SMN1; SMN2ALDH1A1POLB
SCHEMBL8997858 1.00 PYGM (0.52) PYGMTK1SMN1; SMN2ALDH1A1POLB
SCHEMBL2640245 0.84 PYGM (0.52) PYGMTK1SMN1; SMN2LMNACYP1A2
4'-Thiothymidine SCHEMBL1942500 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
4'-Thiothymidine SCHEMBL3517583 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
4'-Thiothymidine SCHEMBL23897630 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
SCHEMBL8966491 0.84 LMNA (0.57) TK1SMN1; SMN2LMNATSHRPMP22
4'-Thiothymidine SCHEMBL23897578 0.84 TK1 (0.49) TK1ALDH1A1POLBLMNABLM
SCHEMBL2638724 0.84 TK1 (0.41) TK1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL3691195 0.84 TK1 (0.60) PYGMTK1SMN1; SMN2LMNACYP1A2

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
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