SCHEMBL7543434

SCHEMBL7543434

CC#CCOc1ccc(S(=O)(=O)N2CCSC3(CCN(C)CC3)C2C(=O)NO)cc1.CC#CCOc1ccc(S(=O)(=O)N2CCSC3(CCN(C)CC3)C2C(=O)NO)cc1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 20/20 0.87
▸ MMP1 P03956 19/20 0.87
▸ MMP13 P45452 19/20 0.87
▸ MMP9 P14780 4/20 0.76
▸ MMP2 P08253 1/20 0.76
▸ ADAM10 O14672 2/20 0.65
▸ MMP3 P08254 2/20 0.65
▸ ADAM9 Q13443 2/20 0.65

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
SCHEMBL4031323 1.00 ADAM17 (0.87) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL3946332 0.88 MMP1 (0.78) ADAM17MMP1MMP13MMP9MMP2
Hydrochloric Acid SCHEMBL6507693 0.87 MMP1 (0.77) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL2358255 0.87 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL3942486 0.87 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP2
Propionamide SCHEMBL7428300 0.82 ADAM17 (0.90) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL7493293 0.81 MMP1 (0.90) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL12272905 0.79 ADAM17 (0.86) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL7314816 0.79 MMP1 (0.71) ADAM17MMP1MMP13MMP9MMP2
SCHEMBL8051411 0.79 MMP1 (0.86) ADAM17MMP1MMP13MMP9MMP2

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-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 — — EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — WO disclosed
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