SCHEMBL29708577

SCHEMBL29708577

COC(=O)c1csc(N(CC2COC(C)(C)O2)C(=O)OC(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ GSTO1 P78417 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL29708869 0.91 USP30 (0.32) USP30GSTO1
SCHEMBL29235853 0.91 ALDH1A1 (0.32) USP30GSTO1HRH3
SCHEMBL29235625 0.84 HRH3 (0.30) GSTO1HRH3
SCHEMBL29598733 0.72 SMN1; SMN2 (0.38) —
SCHEMBL29598635 0.72 SMN1; SMN2 (0.37) —
SCHEMBL29235800 0.70 GSTO1 (0.40) GSTO1
SCHEMBL29708400 0.70 ALDH1A1 (0.33) GSTO1
SCHEMBL8367145 0.70 CA2 (0.39) USP30FPR2SCN9A
SCHEMBL29235538 0.70 HRH3 (0.34) HRH3
SCHEMBL29708663 0.69 ALDH1A1 (0.33) GSTO1

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
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 — — EP disclosed
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