SCHEMBL9549708

SCHEMBL9549708

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.48
ALB P02768 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ADRA1A P35348 1/20 0.46
BLM P54132 1/20 0.46
DHFR P00374 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL9549703 0.94 TK1 (0.50) TK1ALBALDH1A1LMNAPOLB
SCHEMBL9549656 0.93 TK1 (0.50) TK1ALBALDH1A1LMNAPOLB
Phosphoric Acid SCHEMBL3095605 0.91 TK1 (0.52) TK1DHFR
SCHEMBL78118 0.90 TK1 (0.53) TK1ALBALDH1A1LMNAPOLB
SCHEMBL19242604 0.90 TK1 (0.53) TK1ALBALDH1A1LMNAPOLB
Pyrophosphoric Acid SCHEMBL1269545 0.87 POLB (0.54) TK1POLBDHFR
SCHEMBL9549653 0.87 TK1 (0.50) TK1ALBALDH1A1LMNAPOLB
Triphosphate SCHEMBL81707 0.85 POLB (0.55) TK1POLBDHFR
SCHEMBL3154831 0.84 POLB (0.57) TK1POLBDHFR
SCHEMBL9549776 0.81 TK1 (0.53) TK1ALBLMNAPOLBBLM

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