SCHEMBL6263108

SCHEMBL6263108

O=C(NO)C1(S(=O)(=O)c2ccc(OCC#CCC3CCNCC3)cc2)CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.73
MMP13 P45452 15/20 0.72
MMP1 P03956 13/20 0.72
MMP9 P14780 13/20 0.72

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
Hydroxyamine SCHEMBL4033698 0.91 ADAM17 (0.61) ADAM17MMP13MMP1MMP9
SCHEMBL4033702 0.91 ADAM17 (0.60) ADAM17MMP13MMP1MMP9
SCHEMBL6270058 0.88 ADAM17 (0.57) ADAM17MMP13MMP1MMP9
SCHEMBL4027101 0.85 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6265558 0.84 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6269908 0.83 ADAM17 (0.84) ADAM17MMP13MMP1MMP9
SCHEMBL4026389 0.82 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6262973 0.81 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6262885 0.81 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL7423131 0.81 ADAM17 (0.53) ADAM17MMP13MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP claimed
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP disclosed