SCHEMBL19979255

SCHEMBL19979255

COc1ccc(COC[C@H]2O[C@H]3C(n4cnc5c(Cl)nc(Cl)nc54)C3(COC(=O)c3ccccc3)C2O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NT5E P21589 12/20 0.35
BCHE P06276 1/20 0.34
TBXAS1 P24557 1/20 0.32

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
SCHEMBL19979256 0.88 NT5E (0.39) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL19975506 0.88 NT5E (0.39) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL22700396 0.87 PDE2A (0.36) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL19979067 0.87 LMNA (0.40) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL19979002 0.86 PDE2A (0.33) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL22700325 0.80 LMNA (0.42) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL19978901 0.80 LMNA (0.46) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL19975504 0.78 NT5E (0.39) PDE2AALDH1A1LMNATP53MAPT
SCHEMBL19979260 0.75 PDE2A (0.49) PDE2ALMNATP53NT5E
SCHEMBL19974569 0.74 ADORA2A (0.41) ALDH1A1LMNATP53MAPTTDP1

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-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO disclosed