SCHEMBL28803121

SCHEMBL28803121

NC(=O)Oc1nc(CCCn2ccnc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 10/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL28803213 0.79 QPCT (0.39) —
SCHEMBL28802966 0.77 TBXAS1 (0.47) TBXAS1CYP19A1
SCHEMBL28946577 0.76 TBXAS1 (0.46) TBXAS1SMN1; SMN2CYP19A1MEN1KMT2A
SCHEMBL28803151 0.75 AOC3 (0.33) —
SCHEMBL28803056 0.72 — —
SCHEMBL28366435 0.70 GABRA5 (0.36) MEN1KMT2A
SCHEMBL3836923 0.68 TBXAS1 (0.54) TBXAS1
SCHEMBL4395522 0.67 TBXAS1 (0.64) TBXAS1
SCHEMBL5805139 0.65 TBXAS1 (0.72) TBXAS1
SCHEMBL28316724 0.65 GABRA5 (0.32) SMN1; SMN2MEN1KMT2A

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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