SCHEMBL6610186

SCHEMBL6610186

C=C(C(=O)OC)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.64
MMP9 P14780 3/20 0.64
MMP13 P45452 3/20 0.64
MMP2 P08253 2/20 0.64
MMP8 P22894 2/20 0.64
CA2 P00918 1/20 0.64
KEAP1 Q14145 1/20 0.49
PTPN1 P18031 1/20 0.47

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
SCHEMBL6608055 0.82 MMP1 (0.80) MMP1MMP9MMP13MMP2MMP8
SCHEMBL5656058 0.81 POLB (0.48) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6613829 0.81 KEAP1 (0.47) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6608209 0.81 KEAP1 (0.47) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6610841 0.80 KEAP1 (0.48) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6610428 0.80 KEAP1 (0.45) MMP1MMP9MMP13MMP2MMP8
SCHEMBL5656436 0.79 LMNA (0.48) KEAP1
SCHEMBL6610937 0.79 POLB (0.48) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6608669 0.79 KMT2A (0.48) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6611811 0.78 KDM4E (0.48) MMP1MMP9MMP13MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed