SCHEMBL24371902

SCHEMBL24371902

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
TP53 P04637 2/20 1.00
ALDH1A1 P00352 2/20 1.00
MAPT P10636 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
ACHE P22303 5/20 0.54
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
ADORA3 P0DMS8 4/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL3948255 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL29609278 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL5983791 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3770300 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13012214 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13062149 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL6884789 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL21798516 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL22826797 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL5410879 1.00 LMNA (1.00) LMNATP53ALDH1A1MAPTTDP1

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
EP-3988100-A1 ADENOSINE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR STEREOISOMERIDE THEREOF, AND USE Academy Of Military Medical Sciences (CN) 2022-04-27 EP disclosed
EP-3988559-A1 2-BENZYLIDENE HYDRAZINOADENOSINE COMPOUNDS HAVING A2A ADENOSINE RECEPTOR AGNOSTIC ACTIVITY Academy Of Military Medical Sciences (CN) 2022-04-27 EP disclosed