SCHEMBL6811273

SCHEMBL6811273

Cc1cc(Br)cc(C(=O)NO)c1NCS(=O)(=O)c1ccc(OCC#CCNC2CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.53
MMP13 P45452 19/20 0.53
MMP9 P14780 18/20 0.53
MMP1 P03956 12/20 0.53

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
SCHEMBL3945004 0.88 ADAM17 (0.68) ADAM17MMP13MMP9MMP1
SCHEMBL3938974 0.87 ADAM17 (0.67) ADAM17MMP13MMP9MMP1
SCHEMBL6816319 0.85 ADAM17 (0.68) ADAM17MMP13MMP9MMP1
SCHEMBL6814832 0.84 ADAM17 (0.69) ADAM17MMP13MMP9MMP1
SCHEMBL6820054 0.83 ADAM17 (0.70) ADAM17MMP13MMP9MMP1
SCHEMBL3945507 0.82 ADAM17 (0.76) ADAM17MMP13MMP9MMP1
SCHEMBL3942775 0.82 ADAM17 (0.58) ADAM17MMP13MMP9MMP1
SCHEMBL6819078 0.82 ADAM17 (0.65) ADAM17MMP13MMP9MMP1
SCHEMBL6813866 0.81 ADAM17 (0.58) ADAM17MMP13MMP9MMP1
SCHEMBL6820235 0.80 ADAM17 (0.73) ADAM17MMP13MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144369-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP claimed