SCHEMBL2640058

SCHEMBL2640058

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ GRIK5 Q16478 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALOX12 P18054 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ TK2 O00142 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2640061 1.00 TK1 (0.39) TK1GRIA1GRIA2GRIA4GRIK5
SCHEMBL9284740 0.80 TK1 (0.60) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL2640245 0.80 PYGM (0.52) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL8966491 0.80 LMNA (0.57) TK1LMNASMN1; SMN2ALOX12ADRA1A
4'-Thiothymidine SCHEMBL23897630 0.80 TK1 (0.49) TK1LMNAADRA1ABLM
4'-Thiothymidine SCHEMBL23897578 0.80 TK1 (0.49) TK1LMNAADRA1ABLM
SCHEMBL3691195 0.80 TK1 (0.60) TK1LMNASMN1; SMN2ALOX12ADRA1A
4'-Thiothymidine SCHEMBL1942500 0.80 TK1 (0.49) TK1LMNAADRA1ABLM
SCHEMBL2638724 0.80 TK1 (0.41) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL8997855 0.80 PYGM (0.52) TK1LMNASMN1; SMN2ALOX12ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08504753-A — — 1996-05-21 — — JP claimed
EP-0421777-B1 Further antiviral pyrimidine nucleosides UNIV BIRMINGHAM (GB) 1996-02-28 — — EP claimed
EP-0658166-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES THE UNIVERSITY OF BIRMINGHAM (GB) 1995-06-21 — — EP claimed
WO-1994005686-A1 ANOMERISATION PROCESS UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 — — WO claimed
WO-1994005687-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 — — WO claimed
EP-0421777-A1 Further antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-04-10 — — EP claimed
EP-0421777-B1 Further antiviral pyrimidine nucleosides UNIV BIRMINGHAM (GB) 1996-02-28 — — EP disclosed
EP-0658166-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES THE UNIVERSITY OF BIRMINGHAM (GB) 1995-06-21 — — EP disclosed
WO-1994005686-A1 ANOMERISATION PROCESS UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 — — WO disclosed
WO-1994005687-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 — — WO disclosed
EP-0421777-A1 Further antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-04-10 — — EP disclosed
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