SCHEMBL19974563

SCHEMBL19974563

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NT5E P21589 3/20 0.39
P2RY11 Q96G91 1/20 0.37
ADORA2A P29274 1/20 0.36
PNP P00491 1/20 0.36
SLC29A1 Q99808 1/20 0.36
GSK3A P49840 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL19974452 0.93 LMNA (0.47) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL16374160 0.90 HINT1 (0.41) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL23225541 0.90 NT5E (0.44) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL17359763 0.90 HINT1 (0.41) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL19590406 0.90 HINT1 (0.41) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL20754603 0.90 HINT1 (0.41) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL19777955 0.90 NT5E (0.44) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL24829628 0.90 NT5E (0.44) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL14652919 0.90 NT5E (0.44) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL930787 0.90 NT5E (0.44) HINT1LMNAALDH1A1TP53MAPT

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 3 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
EP-3512860-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) 2019-07-24 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