SCHEMBL7686874

SCHEMBL7686874

O=C(O)CC(NS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.39
MMP2 P08253 10/20 0.37
MMP9 P14780 9/20 0.37
ADAMTS4 O75173 3/20 0.37
MMP8 P22894 3/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MMP12 P39900 2/20 0.36
MMP14 P50281 2/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL7686355 0.92 MMP9 (0.44) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7678024 0.92 CNR2 (0.40) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7687017 0.91 MMP2 (0.39) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7683595 0.90 MMP2 (0.44) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7684559 0.89 MMP2 (0.39) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7682261 0.89 ALDH1A1 (0.37) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7686108 0.89 MMP2 (0.42) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7679666 0.89 MMP9 (0.43) MMP13MMP2MMP9ADAMTS4MMP8
SCHEMBL7685476 0.88 MMP2 (0.42) MMP13MMP2MMP9ADAMTS4CNR2
SCHEMBL7683710 0.88 ITGB3 (0.42) MMP13MMP2MMP9ADAMTS4MMP8

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