SCHEMBL16639144

SCHEMBL16639144

Nc1ccn([C@H]2COC(O)S2)c(=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
PDE3A Q14432 3/20 0.47
CACNA1F O60840 2/20 0.47
ALB P02768 2/20 0.47
MAPT P10636 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 0.47
THRB P10828 1/20 0.46
MTOR P42345 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PDE4D Q08499 1/20 0.43
SLC29A1 Q99808 1/20 0.43
FGFR1 P11362 1/20 0.40
POLG P54098 2/20 0.40
NT5E P21589 1/20 0.38
POLB P06746 1/20 0.38
ST6GAL1 P15907 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
SCHEMBL13881252 0.83 LMNA (0.44) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10015810 0.83 LMNA (0.44) LMNAPDE3ACACNA1FALBMAPT
Apricitabine SCHEMBL12225360 0.83 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
Apricitabine SCHEMBL10078436 0.83 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
Apricitabine SCHEMBL1751974 0.83 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
Apricitabine SCHEMBL1101075 0.83 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
Apricitabine SCHEMBL1751976 0.83 LMNA (0.59) LMNAPDE3ACACNA1FALBMAPT
Apricitabine SCHEMBL5556340 0.82 LMNA (0.58) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL12224210 0.77 LMNA (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL15788455 0.77 LMNA (0.45) LMNAPDE3ACACNA1FALBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190839-B1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LTD (AU) 2015-04-15 EP disclosed