SCHEMBL5608279

SCHEMBL5608279

CC(=O)Nc1ccn([C@@H]2CO[C@H](COC(=O)c3ccccc3)S2)c(=O)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
P2RY6 Q15077 2/20 0.40
P2RY14 Q15391 2/20 0.40
NT5E P21589 1/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPC1 O15118 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL10330899 1.00 POLB (0.43) POLBABL1RIN1P2RY6P2RY14
SCHEMBL13900107 1.00 POLB (0.43) POLBABL1RIN1P2RY6P2RY14
SCHEMBL5608369 1.00 POLB (0.43) POLBABL1RIN1P2RY6P2RY14
SCHEMBL3654228 1.00 POLB (0.43) POLBABL1RIN1P2RY6P2RY14
SCHEMBL3654226 1.00 POLB (0.43) POLBABL1RIN1P2RY6P2RY14
SCHEMBL10078437 1.00 POLB (0.43) POLBABL1RIN1P2RY6P2RY14
SCHEMBL3657470 0.91 ABL1 (0.52) POLBABL1RIN1P2RY6P2RY14
SCHEMBL3657471 0.91 ABL1 (0.52) POLBABL1RIN1P2RY6P2RY14
SCHEMBL3658551 0.91 ABL1 (0.52) POLBABL1RIN1P2RY6P2RY14
SCHEMBL3761289 0.91 ABL1 (0.52) POLBABL1RIN1P2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2960164-B2 1999-10-06 JP claimed
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 EP claimed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 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-1473294-B1 Substituted 1,3-oxathiolanes with antiviral properties SHIRE BIOCHEM INC (CA) 2007-04-18 EP disclosed
EP-1473294-A2 Substituted 1,3-oxathiolanes with antiviral properties Shire Biochem Inc. (CA) 2004-11-03 EP disclosed
EP-1153924-B1 Substituted 1,3-oxathiolanes with antiviral properties SHIRE BIOCHEM INC (CA) 2004-09-01 EP disclosed
US-6369066-B1 HIV INFECTIONS BIOCHEM PHARMA, INC. (CA) 2002-04-09 US disclosed
EP-0756595-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES SHIRE BIOCHEM INC (CA) 2002-03-06 EP disclosed
EP-1153924-A2 Substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC (CA) 2001-11-14 EP disclosed
US-6228860-B1 ADMINISTERING TO TREAT HUMAN IMMUNODEFICIENCY OR HEPATITIS VIRUS INFECTIONS IN MAMMALS RESISTANT TO 3TC OR FTC BIOCHEM PHARMA INC. (CA) 2001-05-08 US disclosed
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US disclosed
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