SCHEMBL8470705

SCHEMBL8470705

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ABL1 P00519 2/20 0.40
RIN1 Q13671 1/20 0.40
POLB P06746 1/20 0.37
LMNA P02545 4/20 0.36
CACNA1F O60840 2/20 0.36
ALB P02768 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
PDE3A Q14432 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK8 P45983 2/20 0.32
MAP4K4 O95819 1/20 0.32
CSNK1A1 P48729 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
SCHEMBL8469517 1.00 MAPT (0.41) MAPTABL1RIN1POLBLMNA
SCHEMBL8469615 0.84 POLB (0.42) MAPTABL1RIN1POLBTSHR
SCHEMBL8470363 0.84 POLB (0.42) MAPTABL1RIN1POLBTSHR
SCHEMBL12671946 0.81 ABL1 (0.43) MAPTABL1RIN1POLBLMNA
SCHEMBL8469822 0.79 ABL1 (0.41) MAPTABL1RIN1POLBLMNA
SCHEMBL9034422 0.79 ABL1 (0.41) MAPTABL1RIN1POLBLMNA
SCHEMBL9530859 0.78 LMNA (0.57) MAPTPOLBLMNACACNA1FALB
SCHEMBL14581404 0.76 ALB (0.65) MAPTABL1RIN1POLBLMNA
SCHEMBL5430795 0.76 ALB (0.65) MAPTABL1RIN1POLBLMNA
SCHEMBL31289523 0.76 ALB (0.65) MAPTABL1RIN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2960164-B2 1999-10-06 JP claimed
EP-0236931-B1 Aromatic omega-alkylimino-tetrahydro-6H-1,3-Thiazin-6-one derivatives MERRELL DOW PHARMA (US) 1993-12-29 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
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 WO disclosed