SCHEMBL11529152

SCHEMBL11529152

CC(=O)OC[C@H]1O[C@@H](n2cc(C#N)c3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.65
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
GALR3 O60755 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 9/20 0.40
CA12 O43570 8/20 0.40

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
SCHEMBL13064455 0.87 LMNA (0.55) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL7105307 0.87 LMNA (0.55) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13064456 0.80 PRKAB2 (0.49) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13064460 0.80 ADK (0.54) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL24371902 0.79 LMNA (1.00) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL19370230 0.79 ALDH1A1 (0.69) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL21798516 0.79 LMNA (1.00) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL22826797 0.79 LMNA (1.00) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL5983791 0.79 LMNA (1.00) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13062149 0.79 LMNA (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140851-A Synthesis and antitumor activity of 2,4,5-trisubstituted-pyrrolo2,3-d]-pyrimidine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1979-02-20 US claimed
US-4140851-A Synthesis and antitumor activity of 2,4,5-trisubstituted-pyrrolo2,3-d]-pyrimidine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1979-02-20 US disclosed