SCHEMBL24258664

SCHEMBL24258664

CC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3c(=O)n4cc[nH]c4nc32)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ GSK3A P49840 4/20 0.33
▸ RPS6KA3 P51812 4/20 0.33
▸ MAPK14 Q16539 4/20 0.33
▸ HINT1 P49773 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ NT5E P21589 1/20 0.31

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
SCHEMBL20908775 0.85 ALDH1A1 (0.42) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL24258598 0.84 GSK3A (0.39) LMNAALDH1A1GSK3ARPS6KA3MAPK14
SCHEMBL21263942 0.83 ALDH1A1 (0.62) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL18759054 0.79 HINT1 (0.54) ALDH1A1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL7257443 0.79 HINT1 (0.54) ALDH1A1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL18759058 0.77 ALDH1A1 (0.43) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL22757440 0.77 ALDH1A1 (0.46) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL24258539 0.76 SLC29A1 (0.42) LMNAALDH1A1NT5E
SCHEMBL8284676 0.76 LMNA (0.56) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL7069026 0.75 PRKAB2 (0.46) 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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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