SCHEMBL7651144

SCHEMBL7651144

COc1ccc(S(=O)(=O)C2(C(=O)ON)CCN(Cc3ccc(-c4ccccn4)cc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.80
MMP9 P14780 19/20 0.80
MMP13 P45452 19/20 0.80
ADAM17 P78536 18/20 0.80
MMP2 P08253 1/20 0.57
MMP3 P08254 1/20 0.57
MMP8 P22894 1/20 0.57
MMP14 P50281 1/20 0.57
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7411705 0.91 MMP1 (0.79) MMP1MMP9MMP13ADAM17MMP2
Hydroxyamine SCHEMBL7651138 0.90 MMP1 (0.81) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7407646 0.90 MMP1 (0.84) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7411333 0.89 MMP1 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6565358 0.79 MMP1 (0.83) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6568555 0.78 MMP1 (0.76) MMP1MMP9MMP13ADAM17CYP3A4
SCHEMBL7554869 0.77 MMP9 (0.75) MMP1MMP9MMP13ADAM17CYP3A4
SCHEMBL6566808 0.76 CYP3A4 (0.80) MMP1MMP9MMP13ADAM17CYP3A4
SCHEMBL7617789 0.76 MMP1 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6567121 0.76 MMP1 (0.80) MMP1MMP9MMP13ADAM17MMP2

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
US-6462073-B2 METALLOPROTEASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION 2002-10-08 US disclosed