SCHEMBL7105307

SCHEMBL7105307

CC(=O)OC[C@H]1O[C@@H](n2cc(C#N)c3c(Cl)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
HIF1A Q16665 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADK P55263 4/20 0.43
PAX8 Q06710 1/20 0.42
GALR3 O60755 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 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 1.00 LMNA (0.55) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13064456 0.90 PRKAB2 (0.49) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13064460 0.89 ADK (0.54) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL11529152 0.87 LMNA (0.65) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13021283 0.84 LMNA (0.54) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL7107003 0.83 LMNA (0.48) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL7110326 0.83 LMNA (0.48) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL11528779 0.83 LMNA (0.50) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL13066056 0.83 HIF1A (0.47) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3291079 0.83 ADK (0.58) 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
WO-2003061576-A2 DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS RIBAPHARM INC. (US) 2003-07-31 WO disclosed