SCHEMBL7862879

SCHEMBL7862879

CC#CC(Oc1ccc(S(=O)(=O)N(C)c2c(C)cc(Br)cc2C(=O)NO)cc1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.64
MMP13 P45452 19/20 0.64
ADAM17 P78536 19/20 0.64
MMP1 P03956 12/20 0.64

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
SCHEMBL7862869 0.92 MMP9 (0.53) MMP9MMP13ADAM17MMP1
SCHEMBL6816618 0.78 ADAM17 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL6815794 0.77 MMP9 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL6815599 0.77 ADAM17 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL3944152 0.76 ADAM17 (0.76) MMP9MMP13ADAM17MMP1
SCHEMBL3941353 0.74 ADAM17 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL6815047 0.73 ADAM17 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL3948597 0.72 MMP13 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL3945453 0.72 MMP13 (1.00) MMP9MMP13ADAM17MMP1
SCHEMBL3945005 0.72 MMP13 (1.00) MMP9MMP13ADAM17MMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP claimed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
EP-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed