SCHEMBL30524831

SCHEMBL30524831

CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.54
▸ SPHK2 Q9NRA0 1/20 0.50
▸ SPHK1 Q9NYA1 1/20 0.50
▸ PDK2 Q15119 1/20 0.47
▸ CA2 P00918 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
SCHEMBL30524693 0.89 LOX (0.48) LOXSPHK2SPHK1
SCHEMBL30524884 0.88 LOX (0.53) LOXSPHK2SPHK1PDK2CA2
SCHEMBL30524740 0.88 LOX (0.53) LOXSPHK2SPHK1PDK2CA2
SCHEMBL30524711 0.88 LOX (0.53) LOXSPHK2SPHK1PDK2CA2
SCHEMBL30524799 0.87 CA2 (0.58) LOXSPHK2SPHK1PDK2CA2
SCHEMBL30524735 0.86 KMT2A (0.52) LOXSPHK2SPHK1PDK2
SCHEMBL30524783 0.85 LOX (0.50) LOXSPHK2SPHK1PDK2CA2
SCHEMBL30524816 0.85 LOX (0.50) LOXSPHK2SPHK1
SCHEMBL30524843 0.83 CA2 (0.54) LOXSPHK2SPHK1CA2
SCHEMBL30524844 0.80 HPGD (0.54) SPHK2SPHK1PDK2

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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