SCHEMBL7687013

SCHEMBL7687013

O=C(O)CC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ADAMTS4 O75173 3/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
MMP9 P14780 3/20 0.37
MMP2 P08253 3/20 0.37
F2 P00734 2/20 0.37
ALOX12 P18054 1/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 1/20 0.36
KAT6A Q92794 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
PLG P00747 2/20 0.36
F10 P00742 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36

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 0.91 MMP9 (0.44) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7678024 0.91 CNR2 (0.40) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7683710 0.91 ITGB3 (0.42) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7687017 0.90 MMP2 (0.39) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7683595 0.90 MMP2 (0.44) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7685476 0.89 MMP2 (0.42) ADAMTS4BCL2L1MCL1MMP9MMP2
SCHEMBL7686256 0.89 MMP9 (0.40) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7686810 0.89 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL7686108 0.88 MMP2 (0.42) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL7679666 0.88 MMP9 (0.43) ADAMTS4MMP9MMP2MMP8MMP13

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