SCHEMBL8469822

SCHEMBL8469822

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
RIN1 Q13671 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.38
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
PDE3A Q14432 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.32
MTOR P42345 1/20 0.32
MDM2 Q00987 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9034422 1.00 ABL1 (0.41) ABL1RIN1MAPTPOLBLMNA
SCHEMBL10330900 0.91 MAPT (0.43) ABL1RIN1MAPTPOLBLMNA
SCHEMBL13900108 0.87 MEN1 (0.50) ABL1RIN1MAPTPOLBLMNA
SCHEMBL13881215 0.85 ABL1 (0.60) ABL1RIN1MAPTPOLBLMNA
SCHEMBL12995069 0.85 ABL1 (0.60) ABL1RIN1MAPTPOLBLMNA
SCHEMBL12995205 0.85 ABL1 (0.60) ABL1RIN1MAPTPOLBLMNA
SCHEMBL10078126 0.85 MAPT (0.40) ABL1RIN1MAPTPOLBLMNA
SCHEMBL5608369 0.84 POLB (0.43) ABL1RIN1MAPTPOLBTSHR
SCHEMBL10078437 0.84 POLB (0.43) ABL1RIN1MAPTPOLBTSHR
SCHEMBL5608279 0.84 POLB (0.43) ABL1RIN1MAPTPOLBTSHR

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
JP-2960164-B2 1999-10-06 JP claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 EP claimed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 WO claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 EP disclosed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 EP disclosed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 WO disclosed