SCHEMBL13066056

SCHEMBL13066056

CC(=O)OCC1O[C@@H](n2cc(C#N)c3c(O)ncnc32)[C@H](O)C1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
PAX8 Q06710 1/20 0.47
ADK P55263 8/20 0.46
DOT1L Q8TEK3 3/20 0.44
PRMT5 O14744 1/20 0.44
PRMT3 O60678 1/20 0.44
DNMT1 P26358 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13064456 0.93 PRKAB2 (0.49) HIF1APAX8ADKDOT1LPRMT5
SCHEMBL7105307 0.83 LMNA (0.55) HIF1APAX8ADKDOT1LPRMT5
SCHEMBL13064455 0.83 LMNA (0.55) HIF1APAX8ADKDOT1LPRMT5
SCHEMBL13064460 0.83 ADK (0.54) HIF1APAX8ADKDOT1LPRMT5
SCHEMBL7107012 0.79 HIF1A (0.61) HIF1APAX8ADKDOT1LPRMT5
SCHEMBL13021285 0.77 PRKAB2 (0.49) HIF1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13021320 0.76 HIF1A (0.48) HIF1APAX8ADKDOT1LPRMT5
SCHEMBL11528779 0.76 LMNA (0.50) HIF1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7107003 0.76 LMNA (0.48) HIF1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7110326 0.76 LMNA (0.48) HIF1APRKAB2PRKAG1PRKAA2PRKAA1

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
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 WO disclosed