SCHEMBL8446568

SCHEMBL8446568

COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C#Cc2ccc(CCn3ccnc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.58
MMP2 P08253 12/20 0.58
KCNA5 P22460 5/20 0.57
KCNH2 Q12809 1/20 0.54
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
MMP25 Q9NPA2 1/20 0.49
ADAM17 P78536 2/20 0.48

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
SCHEMBL8450872 0.93 MMP9 (0.60) MMP9MMP2KCNA5KCNH2ADAM17
SCHEMBL8448675 0.92 MMP9 (0.70) MMP9MMP2KCNA5ADAM17
SCHEMBL8448551 0.89 KCNA5 (0.58) MMP9MMP2KCNA5KCNH2MMP8
SCHEMBL8446618 0.84 MMP9 (0.72) MMP9MMP2KCNA5ADAM17
SCHEMBL8448286 0.84 MMP9 (0.66) MMP9MMP2KCNA5KCNH2ADAM17
SCHEMBL8448720 0.83 MMP9 (0.65) MMP9MMP2KCNA5KCNH2MMP1
SCHEMBL8450863 0.83 KCNA5 (0.73) MMP9MMP2KCNA5KCNH2ADAM17
SCHEMBL8448503 0.82 MMP9 (0.75) MMP9MMP2KCNA5KCNH2ADAM17
SCHEMBL8448255 0.82 MMP9 (0.82) MMP9MMP2KCNA5KCNH2ADAM17
SCHEMBL8449351 0.82 MMP9 (0.82) MMP9MMP2KCNA5KCNH2ADAM17

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