SCHEMBL5254445

SCHEMBL5254445

Cc1cc(Cc2ccc(C(=O)NC3CCCC3c3n[nH]c(=S)[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.64
MMP3 P08254 1/20 0.55
MMP7 P09237 1/20 0.55
MMP10 P09238 1/20 0.55

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
Trifluoroacetic Acid SCHEMBL5255003 0.95 ADAM17 (0.59) ADAM17MMP3MMP7MMP10
SCHEMBL5417136 0.89 MMP7 (0.63) ADAM17MMP7
SCHEMBL5251605 0.81 ADAM17 (0.71) ADAM17MMP7
SCHEMBL5866621 0.80 ADAM17 (0.62) ADAM17MMP7
SCHEMBL5866620 0.80 ADAM17 (0.62) ADAM17MMP7
SCHEMBL5262678 0.79 ADAM17 (0.61) ADAM17MMP7
SCHEMBL5262684 0.79 ADAM17 (0.61) ADAM17MMP7
SCHEMBL5866640 0.78 ADAM17 (0.61) ADAM17MMP7
SCHEMBL5253593 0.78 ADAM17 (0.61) ADAM17MMP7
SCHEMBL5253596 0.78 ADAM17 (0.61) ADAM17MMP7

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
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