SCHEMBL6719626

SCHEMBL6719626

COc1ccc(S(=O)(=O)N(Cc2cccnc2)C(CCN2C(=O)c3ccccc3C2=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.58
MMP2 P08253 9/20 0.58
MMP1 P03956 10/20 0.50
MMP13 P45452 9/20 0.50
MMP14 P50281 4/20 0.50
MMP3 P08254 2/20 0.50
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ADAM17 P78536 6/20 0.46
ADAM10 O14672 1/20 0.46
ADAMTS4 O75173 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL6719629 1.00 MMP9 (0.58) MMP9MMP2MMP1MMP13MMP14
SCHEMBL6726569 0.92 MMP9 (0.67) MMP9MMP2MMP1MMP13MMP14
SCHEMBL6726574 0.92 MMP9 (0.67) MMP9MMP2MMP1MMP13MMP14
SCHEMBL6722430 0.80 MMP2 (0.49) MMP9MMP2MMP1MMP13MMP14
SCHEMBL6722427 0.79 MMP9 (0.50) MMP9MMP2MMP1MMP13MMP14
SCHEMBL13570540 0.77 MMP9 (0.80) MMP9MMP2MMP1MMP13MMP3
SCHEMBL13570653 0.77 MMP9 (0.80) MMP9MMP2MMP1MMP13MMP3
SCHEMBL13570539 0.77 MMP9 (0.80) MMP9MMP2MMP1MMP13MMP3
SCHEMBL13570580 0.76 MMP9 (0.80) MMP9MMP2MMP1MMP13MMP8
SCHEMBL13570529 0.76 MMP9 (0.80) MMP9MMP2MMP1MMP13MMP8

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
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed