SCHEMBL471152

SCHEMBL471152

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)C(C)C1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
ALDH1A1 P00352 2/20 0.66
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
TYMP P19971 1/20 0.46
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
ACHE P22303 4/20 0.42
GSK3A P49840 2/20 0.41
RPS6KA3 P51812 2/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL6887845 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3853209 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14075781 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13264312 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14030780 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL14088746 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL10001661 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3163131 0.92 LMNA (0.77) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL20857283 0.89 LMNA (0.65) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL6363723 0.89 LMNA (0.70) LMNAALDH1A1TP53MAPTTDP1

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
EP-2345661-A1 Modified fluorinated nucleoside analogues Pharmasset, Inc. (US) 2011-07-20 EP disclosed