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SCHEMBL7301154

SCHEMBL7301154

O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 15/20 1.00
▸ MMP2 P08253 13/20 1.00
▸ NR3C1 P04150 1/20 0.73
▸ KCNA5 P22460 1/20 0.73
▸ MEN1 O00255 1/20 0.71
▸ POLB P06746 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ ADAM17 P78536 2/20 0.69

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
SCHEMBL14602247 0.95 MMP9 (1.00) MMP9MMP2NR3C1KCNA5MEN1
SCHEMBL7386419 0.95 MMP9 (1.00) MMP9MMP2NR3C1KCNA5MEN1
SCHEMBL5191094 0.94 MMP9 (0.89) MMP9MMP2KCNA5MEN1POLB
SCHEMBL6720186 0.94 MMP9 (0.89) MMP9MMP2KCNA5MEN1POLB
SCHEMBL8446523 0.94 MMP9 (0.92) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL6288064 0.93 MMP9 (0.86) MMP9MMP2NR3C1KCNA5MEN1
SCHEMBL14602277 0.92 MMP9 (0.84) MMP9MMP2NR3C1KCNA5MEN1
SCHEMBL12299558 0.92 MMP9 (1.00) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL7468980 0.91 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL22500283 0.91 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB

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-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 — — EP disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 — — EP disclosed