SCHEMBL9549776

SCHEMBL9549776

Cc1cn([C@H]2CC[C@@H](COP(O)(=S)S)O2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.53
BCHE P06276 1/20 0.49
POLB P06746 2/20 0.48
POLA1 P09884 1/20 0.47
POLD1 P28340 1/20 0.47
ALB P02768 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2696427 0.91 TK1 (0.54) TK1BCHEPOLBPOLA1POLD1
SCHEMBL16217853 0.90 TK1 (0.56) TK1BCHEPOLBPOLA1POLD1
SCHEMBL8883 0.88 TK1 (0.67) TK1POLBPOLA1POLD1
SCHEMBL26757571 0.88 TK1 (0.67) TK1POLBPOLA1POLD1
SCHEMBL28774920 0.88 TK1 (0.67) TK1POLBPOLA1POLD1
SCHEMBL23440065 0.88 TK1 (0.67) TK1POLBPOLA1POLD1
SCHEMBL13245040 0.87 TK1 (0.57) TK1BCHEPOLBPOLA1POLD1
SCHEMBL6420653 0.86 TK1 (0.58) TK1BCHEPOLBPOLA1POLD1
SCHEMBL23440064 0.85 TK1 (0.54) TK1BCHEPOLBPOLA1POLD1
SCHEMBL24239529 0.85 TK1 (0.50) TK1BCHEPOLBPOLA1POLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5218088-A Process for preparing dithiophosphate oligonucleotide analogs via nucleoside thiophosphoramidite intermediates PURDUE RESEARCH FOUNDATION (US) 1993-06-08 US disclosed