SCHEMBL29258283

SCHEMBL29258283

COc1cccc(CNS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccncc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.69
ROCK2 O75116 1/20 0.52
CYP19A1 P11511 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ACHE P22303 1/20 0.51
KCNA5 P22460 1/20 0.51

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
SCHEMBL30927217 1.00 NAMPT (0.69) NAMPTROCK2CYP19A1HDAC3HDAC1
SCHEMBL29258100 0.89 NAMPT (0.69) NAMPT
SCHEMBL30927201 0.89 NAMPT (0.69) NAMPT
SCHEMBL29258154 0.89 NAMPT (0.68) NAMPTHDAC1
SCHEMBL29258086 0.88 NAMPT (0.71) NAMPTHDAC1HDAC8
SCHEMBL30927236 0.86 NAMPT (0.68) NAMPT
SCHEMBL30927229 0.86 NAMPT (0.68) NAMPT
SCHEMBL29258286 0.86 MEN1 (0.56) NAMPTCYP19A1HDAC3HDAC1HDAC2
SCHEMBL30927215 0.86 MEN1 (0.56) NAMPTCYP19A1HDAC3HDAC1HDAC2
SCHEMBL29258225 0.86 NAMPT (0.68) NAMPT

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-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN disclosed