SCHEMBL9446590

SCHEMBL9446590

Cc1cn([C@@]2(F)C[C@H](O)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC29A1 Q99808 1/20 0.35
DNMT1 P26358 6/20 0.34
ADRB1 P08588 1/20 0.34
ALB P02768 1/20 0.33
LMNA P02545 3/20 0.31
MTOR P42345 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.31
MDM2 Q00987 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5976411 0.86 PDE4D (0.35) PDE4DPDE3ASLC29A1DNMT1ADRB1
SCHEMBL28114849 0.81 DNMT1 (0.32) DNMT1ADRB1
SCHEMBL28042109 0.79 DNMT1 (0.50) PDE4DPDE3ASLC29A1DNMT1ADRB1
SCHEMBL3038818 0.79 PDE3A (0.52) PDE4DPDE3ASLC29A1DNMT1ADRB1
SCHEMBL6394687 0.77 RNASE1 (0.32) DNMT1ADRB1ALDH1A1POLBHTT
SCHEMBL29943756 0.77 TK1 (0.43) ALBLMNAALDH1A1POLBBLM
SCHEMBL2294 0.77 TK1 (0.43) ALBLMNAALDH1A1POLBBLM
SCHEMBL8581452 0.76 DNMT1 (0.31) DNMT1
SCHEMBL234386 0.75 LMNA (0.34) PDE4DPDE3ASLC29A1DNMT1ADRB1
SCHEMBL1684840 0.75 DNMT1 (0.34) PDE4DPDE3ASLC29A1DNMT1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531452-A4 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES 1993-06-09 EP disclosed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP disclosed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 WO disclosed