SCHEMBL7686355

SCHEMBL7686355

O=C(O)CC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.44
ADAMTS4 O75173 4/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 1/20 0.44
MMP2 P08253 13/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
CNR2 P34972 2/20 0.43
MMP12 P39900 2/20 0.43
MMP14 P50281 2/20 0.43

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
SCHEMBL7678024 0.96 CNR2 (0.40) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7687017 0.95 MMP2 (0.39) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7683595 0.94 MMP2 (0.44) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7683710 0.94 ITGB3 (0.42) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7684559 0.93 MMP2 (0.39) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7682261 0.93 ALDH1A1 (0.37) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7686108 0.93 MMP2 (0.42) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7679666 0.93 MMP9 (0.43) MMP9ADAMTS4MMP8MMP13MMP2
SCHEMBL7685476 0.92 MMP2 (0.42) MMP9ADAMTS4MMP13MMP2CNR2
SCHEMBL7686874 0.92 MMP13 (0.39) MMP9ADAMTS4MMP8MMP13MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed