SCHEMBL1389107

SCHEMBL1389107

Nc1ccn([C@@H]2CS[C@H](COC(=O)c3ccccc3O)O2)c(=O)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.61
LMNA P02545 3/20 0.61
PDE3A Q14432 3/20 0.61
MAPT P10636 3/20 0.61
CACNA1F O60840 2/20 0.61
CACNA1D Q01668 2/20 0.61
CACNA1S Q13698 2/20 0.61
CACNA1C Q13936 2/20 0.61
POLG P54098 3/20 0.57
POLB P06746 1/20 0.38
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.36
MDM2 Q00987 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
Water SCHEMBL3460531 0.99 ALB (0.60) ALBLMNAPDE3AMAPTCACNA1F
SCHEMBL9195439 0.89 ALB (0.67) ALBLMNAPDE3AMAPTCACNA1F
SCHEMBL7932120 0.89 ALB (0.67) ALBLMNAPDE3AMAPTCACNA1F
SCHEMBL6448105 0.89 ALB (0.67) ALBLMNAPDE3AMAPTCACNA1F
SCHEMBL9195454 0.89 ALB (0.67) ALBLMNAPDE3AMAPTCACNA1F
SCHEMBL6450341 0.89 ALB (0.67) ALBLMNAPDE3AMAPTCACNA1F
Lamivudine SCHEMBL8308500 0.84 ALB (0.75) ALBLMNAPDE3AMAPTCACNA1F
Lamivudine SCHEMBL2331255 0.84 ALB (0.75) ALBLMNAPDE3AMAPTCACNA1F
SCHEMBL14580363 0.83 ALB (0.70) ALBLMNAPDE3AMAPTCACNA1F
Lamivudine SCHEMBL3460534 0.83 ALB (0.74) ALBLMNAPDE3AMAPTCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329522-B1 GLYCOSYLATING PURINE OR PYRIMIDINE BASE OR ANALOGUE THEREOF WITH OXATHIOLAN OR DITHIOLAN DERIVATIVE IN PRESENCE OF LEWIS ACID CATALYST GLAXO GROUP LIMITED (GB) 2001-12-11 US claimed
EP-0757684-B1 PROCESS FOR THE DIASTEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES GLAXO GROUP LTD (GB) 1999-06-16 EP claimed
JP-H10502615-A GLAXO GROUP LTD (GB) 1998-03-10 JP claimed
EP-0757684-A1 PROCESS FOR THE DIASTEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES GLAXO GROUP LIMITED (GB) 1997-02-12 EP claimed
WO-1995029174-A1 PROCESS FOR THE DIASTEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES GLAXO GROUP LIMITED (GB) 1995-11-02 WO claimed
US-6051709-A Process for the diastereoselective synthesis of nucleoside analogues GLAXO GROUP LIMITED (GB) 2000-04-18 US disclosed