SCHEMBL7899148

SCHEMBL7899148

C#CCC(Cc1cccnc1)(C(=O)ON)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.76
MMP1 P03956 8/20 0.76
MMP13 P45452 8/20 0.76
ADAM17 P78536 3/20 0.58
NAMPT P43490 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL6931438 0.90 MMP9 (0.75) MMP9MMP1MMP13ADAM17NAMPT
Hydroxyamine SCHEMBL7555703 0.89 MMP9 (0.78) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6932299 0.89 MMP9 (0.80) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6932325 0.86 MMP9 (1.00) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7702807 0.85 MMP9 (0.61) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7557253 0.85 MMP13 (0.76) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7658073 0.83 MMP9 (0.77) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7701550 0.82 MMP9 (0.69) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL6935134 0.76 MMP9 (0.80) MMP9MMP1MMP13ADAM17NAMPT
Hydroxyamine SCHEMBL7557247 0.76 MMP13 (0.78) MMP9MMP1MMP13ADAM17NAMPT

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-6197791-B1 ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-03-06 US disclosed