SCHEMBL7685476

SCHEMBL7685476

O=C(O)CC(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.42
MMP13 P45452 3/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 3/20 0.41
ADAMTS4 O75173 2/20 0.41
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 2/20 0.40
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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) MMP2MMP13MMP9ADAMTS4CNR2
SCHEMBL7678024 0.92 CNR2 (0.40) MMP2MMP13MMP9ADAMTS4CNR2
SCHEMBL7684039 0.92 MMP2 (0.42) MMP2MMP13MMP3MMP9CNR2
SCHEMBL7687017 0.91 MMP2 (0.39) MMP2MMP13MMP9ADAMTS4CNR2
SCHEMBL7683595 0.90 MMP2 (0.44) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL7682055 0.89 CASP1 (0.41) CNR2POLBMAPTL3MBTL1
SCHEMBL7687013 0.89 SLC1A3 (0.39) MMP2MMP13MMP9ADAMTS4BCL2L1
SCHEMBL7679666 0.89 MMP9 (0.43) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL7686108 0.89 MMP2 (0.42) MMP2MMP13MMP3MMP9ADAMTS4
SCHEMBL7682261 0.89 ALDH1A1 (0.37) MMP2MMP13MMP3MMP9ADAMTS4

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