SCHEMBL8910840

SCHEMBL8910840

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
PDE3A Q14432 3/20 0.52
ALB P02768 3/20 0.52
CACNA1F O60840 2/20 0.52
MAPT P10636 2/20 0.52
CACNA1D Q01668 2/20 0.52
CACNA1S Q13698 2/20 0.52
CACNA1C Q13936 2/20 0.52
THRB P10828 1/20 0.48
MTOR P42345 1/20 0.48
MDM2 Q00987 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 1/20 0.45
POLG P54098 2/20 0.37
NT5E P21589 1/20 0.35
POLB P06746 1/20 0.35
FGFR1 P11362 2/20 0.34
ST6GAL1 P15907 1/20 0.33

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
SCHEMBL21239415 1.00 LMNA (0.52) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL6403793 1.00 LMNA (0.52) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL1628462 1.00 LMNA (0.52) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL22810381 0.80 CHRNB2 (0.40) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL21507259 0.78 DNMT1 (0.49) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL21239414 0.78 DNMT1 (0.49) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL25790547 0.78 DNMT1 (0.49) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL12671946 0.78 ABL1 (0.43) LMNAPDE3AALBCACNA1FMAPT
4'-Thio-2'-Deoxycytidine SCHEMBL24043143 0.77 LMNA (0.53) LMNAPDE3AALBCACNA1FMAPT
SCHEMBL9530859 0.77 LMNA (0.57) LMNAPDE3AALBCACNA1FMAPT

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
US-5627160-A L-2',3'-dideoxy nucleoside analogs as anti-hepatitis B (HBV) and anti-HIV agents YALE UNIVERSITY (US) 1997-05-06 US disclosed