SCHEMBL28803213

SCHEMBL28803213

Cc1cn(CCCc2csc(OC(N)=O)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.39
▸ GSK3B P49841 1/20 0.35
▸ ALPL P05186 2/20 0.34
▸ PLAA Q9Y263 1/20 0.34
▸ ALPG P10696 1/20 0.33
▸ CPB1 P15086 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ QPCTL Q9NXS2 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
SCHEMBL28803121 0.79 TBXAS1 (0.43) —
SCHEMBL28803200 0.78 SMN1; SMN2 (0.44) QPCT
SCHEMBL28803056 0.77 — —
SCHEMBL28803151 0.73 AOC3 (0.33) —
SCHEMBL28803067 0.70 QPCT (0.53) QPCT
SCHEMBL28366435 0.68 GABRA5 (0.36) —
SCHEMBL15881332 0.68 POLB (0.43) —
SCHEMBL28320024 0.67 GABRA5 (0.35) —
SCHEMBL31251980 0.66 QPCT (0.48) QPCTALPLPLAAALPG
SCHEMBL28316724 0.66 GABRA5 (0.32) —

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
CN-114805334-B QC and GSK-3 beta multi-targeting inhibitor and preparation method and application thereof 深圳大学 2023-06-09 — — CN disclosed
CN-114805334-A QC and GSK-3 beta multi-target inhibitor and preparation method and application thereof 深圳大学 2022-07-29 — — CN disclosed
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