SCHEMBL28599536

SCHEMBL28599536

C#C[C@@]1(OC(C)=O)[C@@H](COC(C(=O)O)C(=O)O)O[C@@H](n2cnc3c(N(C)C(=O)OC(C)(C)C)nc(Cl)nc32)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.49
CD99 P14209 1/20 0.42

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
SCHEMBL21595181 0.93 NT5E (0.45) NT5E
SCHEMBL28588848 0.86 NT5E (0.42) NT5E
SCHEMBL28588849 0.85 NT5E (0.55) NT5E
SCHEMBL30194999 0.84 NT5E (0.42) NT5E
SCHEMBL21595175 0.82 NT5E (0.48) NT5E
SCHEMBL30194951 0.82 NT5E (0.45) NT5E
SCHEMBL30194829 0.81 NT5E (0.48) NT5E
SCHEMBL28572834 0.81 NT5E (0.43) NT5E
SCHEMBL28575735 0.80 NT5E (0.61) NT5E
SCHEMBL28572836 0.79 NT5E (0.60) NT5E

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
CN-112888696-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2021-06-01 CN disclosed