SCHEMBL8621829

SCHEMBL8621829

Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@@H]2F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
POLG P54098 1/20 0.40
DCK P27707 9/20 0.38
TLR7 Q9NYK1 4/20 0.36
DNMT1 P26358 2/20 0.36
ADRB1 P08588 1/20 0.36
LMNA P02545 2/20 0.34
MTOR P42345 2/20 0.34
THRB P10828 1/20 0.34
MDM2 Q00987 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL13871553 1.00 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL3195379 1.00 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL4129272 1.00 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL14577836 1.00 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL19657159 0.88 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL5717526 0.88 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL2580896 0.88 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL2580898 0.88 ALB (0.55) ALBPOLGDCKTLR7DNMT1
SCHEMBL8623364 0.88 ALB (0.41) ALBTLR7DNMT1ADRB1LMNA
SCHEMBL8623360 0.88 ALB (0.41) ALBTLR7DNMT1ADRB1LMNA

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
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 US disclosed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 US disclosed