SCHEMBL6608055

SCHEMBL6608055

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

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.80
MMP9 P14780 4/20 0.80
MMP13 P45452 4/20 0.80
MMP2 P08253 3/20 0.80
MMP8 P22894 3/20 0.80
CA2 P00918 2/20 0.80
KEAP1 Q14145 1/20 0.64
CA1 P00915 1/20 0.51
TAS2R14 Q9NYV8 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL6607579 0.84 KEAP1 (0.67) MMP1MMP9MMP13MMP2MMP8
SCHEMBL29540847 0.82 MMP13 (0.57) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6610186 0.82 MMP1 (0.64) MMP1MMP9MMP13MMP2MMP8
SCHEMBL22252122 0.79 KEAP1 (0.73) MMP1MMP9MMP13MMP2MMP8
SCHEMBL22251960 0.78 KEAP1 (1.00) MMP1MMP9MMP13MMP2MMP8
SCHEMBL7222146 0.78 MMP1 (0.80) MMP1MMP9MMP13MMP2MMP8
SCHEMBL5654237 0.78 MMP1 (0.69) MMP1MMP9MMP13MMP2MMP8
SCHEMBL6611402 0.77 MMP1 (0.68) MMP1MMP9MMP13MMP2MMP8
SCHEMBL29238398 0.76 MEN1 (0.51) MMP1MMP9MMP13MMP2MMP8
SCHEMBL2513385 0.75 TAS2R14 (0.70) KEAP1TAS2R14PTPN1

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