SCHEMBL6830837

SCHEMBL6830837

Cc1cn([C@@]2(CC[N+](=O)[O-])C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.38
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ALB P02768 1/20 0.35
PKM P14618 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4727501 0.85 TK1 (0.41) TK1LMNATSHRALBPKM
SCHEMBL14388593 0.85 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL27436150 0.85 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL887851 0.84 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL1517629 0.84 TK1 (0.44) TK1LMNATSHRALBPKM
SCHEMBL29597386 0.84 TK1 (0.39) TK1
SCHEMBL5163085 0.84 TK2 (0.43) TK1
SCHEMBL28249854 0.83 TK1 (0.42) TK1LMNATSHRALBPKM
SCHEMBL29587983 0.83 TK2 (0.44) TK1
SCHEMBL4728681 0.83 TK1 (0.39) TK1LMNATSHRALBPKM

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
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-6191266-B1 MODIFIED TO COMPRISE SUBSTITUTIONS AT POSITIONS C1', C3', C4' OR C5' OF THE SUGAR MOIETY OF THE NUCLEOSIDE, INCLUDING AN OPTIONAL 3' PHOSPHOROAMIDITE GROUP; USE IN MAKING NUCLEASE RESISTANT OLIGONUCLEOTIDES FOR ANTISENSE THERAPY ICN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed