SCHEMBL30524843

SCHEMBL30524843

NC(=O)C1CCCCN1C(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.54
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ LOX P28300 1/20 0.48
▸ SPHK2 Q9NRA0 1/20 0.47
▸ SPHK1 Q9NYA1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30524799 0.96 CA2 (0.58) CA2LOXSPHK2SPHK1
SCHEMBL30524816 0.89 LOX (0.50) LOXSPHK2SPHK1
SCHEMBL28069383 0.86 CA2 (0.73) CA2CA1LOXTDP1
SCHEMBL30524740 0.85 LOX (0.53) CA2LOXSPHK2SPHK1
SCHEMBL30524884 0.85 LOX (0.53) CA2LOXSPHK2SPHK1
SCHEMBL30524711 0.85 LOX (0.53) CA2LOXSPHK2SPHK1
SCHEMBL30524783 0.84 LOX (0.50) CA2LOXSPHK2SPHK1
SCHEMBL30524693 0.84 LOX (0.48) LOXSPHK2SPHK1
SCHEMBL30524831 0.83 LOX (0.54) CA2LOXSPHK2SPHK1
SCHEMBL30524735 0.83 KMT2A (0.52) LOXSPHK2SPHK1

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-111601798-B Bisamide sarcomere activating compounds and uses thereof 美国安进公司 2023-08-11 — — CN claimed
CN-111601798-B Bisamide sarcomere activating compounds and uses thereof 美国安进公司 2023-08-11 — — CN disclosed
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