SCHEMBL30718539

SCHEMBL30718539

COc1ccc(S(=O)(=O)NCC(C)C)c(C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.39
▸ MMP7 P09237 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ BMP1 P13497 1/20 0.36
▸ BACE1 P56817 6/20 0.36

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
SCHEMBL29913751 0.88 F2 (0.52) F2MMP7ALDH1A1SMN1; SMN2LMNA
SCHEMBL29913704 0.82 F2 (0.52) F2MMP7ALDH1A1SMN1; SMN2BACE1
SCHEMBL30718537 0.82 F2 (0.52) F2MMP7ALDH1A1SMN1; SMN2BACE1
SCHEMBL30718534 0.75 F2 (0.49) F2ALDH1A1SMN1; SMN2LMNA
SCHEMBL30718508 0.74 F2 (0.48) F2ALDH1A1LMNA
SCHEMBL29913816 0.74 F2 (0.46) F2ALDH1A1
SCHEMBL30718544 0.73 F2 (0.47) F2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4373557 0.73 F2 (0.51) F2ALDH1A1
SCHEMBL6066041 0.73 F2 (0.51) F2ALDH1A1
SCHEMBL6528253 0.72 BACE1 (0.41) MMP7BACE1

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-117304129-A Azaalkanone derivative or pharmaceutically acceptable salt thereof, preparation method and application thereof, and pharmaceutical composition 中国医学科学院医药生物技术研究所 2023-12-29 — — CN disclosed
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