SCHEMBL6901606

SCHEMBL6901606

Nc1nc(=O)n([C@H]2CO[C@H](COC(=O)c3ccccc3)S2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DCK P27707 10/20 0.44
ALB P02768 1/20 0.43
POLG P54098 1/20 0.40
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL5608361 1.00 DCK (0.44) DCKALBPOLGBACE1ALDH1A1
SCHEMBL12995147 0.86 ALDH1A1 (0.35) DCKBACE1ALDH1A1HTT
SCHEMBL12995146 0.86 ALDH1A1 (0.35) DCKBACE1ALDH1A1HTT
SCHEMBL13881298 0.85 POLB (0.38) DCKALDH1A1HTT
SCHEMBL3621139 0.85 POLB (0.38) DCKALDH1A1HTT
SCHEMBL3654823 0.85 POLB (0.38) DCKALDH1A1HTT
SCHEMBL16639153 0.85 POLB (0.38) DCKALDH1A1HTT
SCHEMBL3621141 0.85 POLB (0.38) DCKALDH1A1HTT
SCHEMBL13881514 0.84 LMNA (0.43) ALBPOLGALDH1A1
SCHEMBL13881282 0.84 LMNA (0.43) ALBPOLGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US claimed
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-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US disclosed