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Sugi Predict / Compounds / SCHEMBL8445720

SCHEMBL8445720

SCHEMBL8445720

O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 16/20 0.81
▸ MMP2 P08253 14/20 0.81
▸ KCNA5 P22460 1/20 0.71
▸ ADAM17 P78536 3/20 0.71
▸ MMP13 P45452 1/20 0.70
▸ MMP14 P50281 1/20 0.70

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
SCHEMBL7299870 0.95 MMP9 (0.78) MMP9MMP2KCNA5ADAM17MMP13
SCHEMBL8451063 0.92 MMP9 (0.74) MMP9MMP2KCNA5ADAM17MMP13
SCHEMBL2381488 0.89 MMP9 (1.00) MMP9MMP2KCNA5ADAM17MMP13
SCHEMBL12247609 0.89 MMP9 (1.00) MMP9MMP2KCNA5ADAM17MMP13
SCHEMBL8446523 0.88 MMP9 (0.92) MMP9MMP2KCNA5ADAM17
SCHEMBL7298534 0.88 MMP9 (0.69) MMP9MMP2KCNA5ADAM17MMP13
SCHEMBL8446521 0.86 MMP9 (1.00) MMP9MMP2KCNA5ADAM17
SCHEMBL8446559 0.86 MMP9 (1.00) MMP9MMP2KCNA5ADAM17
SCHEMBL8448511 0.85 MMP9 (0.84) MMP9MMP2KCNA5ADAM17
SCHEMBL8448370 0.85 MMP9 (0.82) MMP9MMP2KCNA5ADAM17

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