SCHEMBL6135843

SCHEMBL6135843

Cc1cc(COc2ccc(S(=O)(=O)c3ccoc3C3CNCN3)cc2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.50
MMP13 P45452 3/20 0.48
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP12 P39900 1/20 0.47

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
SCHEMBL5887805 0.82 ADAM17 (0.51) ADAM17MMP13MMP2MMP3MMP7
Trifluoroacetic Acid SCHEMBL5887636 0.77 ADAM17 (0.48) ADAM17MMP13
SCHEMBL5887640 0.73 ADAM17 (0.46) ADAM17MMP13MMP2
SCHEMBL3882588 0.72 ADAM17 (0.65) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL2682726 0.72 ADAM17 (0.65) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL2681099 0.71 ADAM17 (0.67) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL6100721 0.71 ADAM17 (0.64) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL6100731 0.71 ADAM17 (0.67) ADAM17MMP13MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL2682656 0.71 ADAM17 (0.64) ADAM17MMP13MMP2MMP3MMP7
SCHEMBL6100716 0.71 ADAM17 (0.66) ADAM17MMP13MMP2MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP claimed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP claimed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed