SCHEMBL8450863

SCHEMBL8450863

COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C#Cc2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.73
MMP9 P14780 13/20 0.69
MMP2 P08253 12/20 0.69
KCNH2 Q12809 1/20 0.63
ADAM17 P78536 2/20 0.56

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
SCHEMBL8448511 0.91 MMP9 (0.84) KCNA5MMP9MMP2ADAM17
SCHEMBL8448503 0.90 MMP9 (0.75) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8448255 0.90 MMP9 (0.82) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8449351 0.90 MMP9 (0.82) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8451106 0.90 MMP9 (0.67) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8448286 0.89 MMP9 (0.66) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8448720 0.88 MMP9 (0.65) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8451063 0.87 MMP9 (0.74) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8450960 0.87 MMP9 (0.71) KCNA5MMP9MMP2KCNH2ADAM17
SCHEMBL8450882 0.85 KCNA5 (0.62) KCNA5MMP9MMP2KCNH2ADAM17

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed