SCHEMBL29589382

SCHEMBL29589382

Cc1cc(Cl)n2ncnc(N3CC4(CC(N([SH]=O)C5CC5)C4)C3)c12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL29588877 0.97 PDE2A (0.30) PDE2A
SCHEMBL29588703 0.96 TP53 (0.30) —
SCHEMBL29588793 0.85 PDE2A (0.32) PDE2A
SCHEMBL29588689 0.85 PDE2A (0.30) PDE2A
SCHEMBL29589172 0.85 — —
SCHEMBL29588930 0.85 — —
SCHEMBL24391920 0.82 — —
SCHEMBL29588848 0.81 — —
SCHEMBL30605489 0.80 — —
SCHEMBL29588965 0.80 PDE2A (0.31) PDE2A

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-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — WO disclosed
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