SCHEMBL29235538

SCHEMBL29235538

COC(=O)c1csc(N(C)C2CCOC(C)(C)O2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL29235853 0.74 ALDH1A1 (0.32) HRH3SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL29235625 0.73 HRH3 (0.30) HRH3
SCHEMBL29235539 0.72 SMN1; SMN2 (0.39) MAOAACHESMN1; SMN2MEN1KMT2A
SCHEMBL30888336 0.72 SMN1; SMN2 (0.38) MAOAACHESMN1; SMN2
SCHEMBL29235918 0.70 — —
SCHEMBL29708577 0.70 USP30 (0.33) HRH3
SCHEMBL30888305 0.70 SMN1; SMN2 (0.36) CRBNSMN1; SMN2
SCHEMBL13162766 0.69 CSF1R (0.43) HRH3MAOAACHESMN1; SMN2KMT2A
SCHEMBL29708869 0.68 USP30 (0.32) MAOAACHE
SCHEMBL29598733 0.67 SMN1; SMN2 (0.38) MAOAACHESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 — — CN disclosed
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