SCHEMBL19979099

SCHEMBL19979099

CC1(COCc2ccccc2)C(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H]1n1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE2A O00408 2/20 0.41
NT5E P21589 4/20 0.41
ADORA2A P29274 3/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL19974596 1.00 LMNA (0.44) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL19974452 0.92 LMNA (0.47) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL22700215 0.91 ALDH1A1 (0.44) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL19974563 0.86 HINT1 (0.40) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL29148038 0.85 LMNA (0.48) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL30303123 0.85 LMNA (0.48) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL18041225 0.85 LMNA (0.48) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL17467485 0.85 LMNA (0.48) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL22700325 0.85 LMNA (0.42) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL20305220 0.85 LMNA (0.47) 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-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