SCHEMBL5417136

SCHEMBL5417136

Cc1cc(COc2ccc(C(=O)N[C@@H]3CCC[C@@H]3c3n[nH]c(=S)[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.63
MMP12 P39900 1/20 0.63
ADAM17 P78536 1/20 0.62
MMP13 P45452 1/20 0.61

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
SCHEMBL5251605 0.93 ADAM17 (0.71) MMP7MMP12ADAM17MMP13
SCHEMBL5866620 0.91 ADAM17 (0.62) MMP7MMP12ADAM17MMP13
SCHEMBL5866621 0.91 ADAM17 (0.62) MMP7MMP12ADAM17MMP13
SCHEMBL5262684 0.90 ADAM17 (0.61) MMP7MMP12ADAM17MMP13
SCHEMBL5262678 0.90 ADAM17 (0.61) MMP7MMP12ADAM17MMP13
SCHEMBL5248676 0.90 ADAM17 (0.67) MMP7MMP12ADAM17MMP13
SCHEMBL5866676 0.90 ADAM17 (0.67) MMP7MMP12ADAM17MMP13
SCHEMBL5866634 0.90 ADAM17 (0.67) MMP7MMP12ADAM17MMP13
SCHEMBL5866641 0.90 ADAM17 (0.67) MMP7MMP12ADAM17MMP13
SCHEMBL5866640 0.89 ADAM17 (0.61) MMP7MMP12ADAM17MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP claimed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US claimed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP claimed
US-20040116491-A1 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-17 US claimed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US disclosed
US-20040116491-A1 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-17 US disclosed