SCHEMBL7314654

SCHEMBL7314654

COC(=O)c1cc(Cc2cccnc2)c(N)c(OCc2cccnc2)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.46
MMP13 P45452 9/20 0.46
MMP1 P03956 8/20 0.46
ADAM17 P78536 6/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NAMPT P43490 6/20 0.46
ALDH1A1 P00352 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL7318051 0.92 KEAP1 (0.49) MMP9MMP13MMP1ADAM17KEAP1
SCHEMBL7322273 0.88 NAMPT (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322044 0.87 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316225 0.86 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317531 0.86 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316589 0.86 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318942 0.85 MMP13 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7313738 0.82 NAMPT (0.43) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7311165 0.80 NAMPT (0.47) MMP9MMP13MMP1ADAM17KEAP1
SCHEMBL7318793 0.79 MMP9 (0.53) MMP9MMP13MMP1ADAM17NAMPT

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed