SCHEMBL7317860

SCHEMBL7317860

COc1ccc(S(=O)(=O)c2c(C(=O)NO)c(Cc3cccnc3)c(C)c(N)c2-c2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.46
MMP9 P14780 18/20 0.46
MMP1 P03956 18/20 0.46
ADAM17 P78536 13/20 0.46
NAMPT P43490 1/20 0.42

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
SCHEMBL7319823 0.92 NAMPT (0.43) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7317088 0.92 NAMPT (0.42) MMP13MMP9MMP1ADAM17NAMPT
Hydrochloric Acid SCHEMBL7322736 0.90 MMP13 (0.46) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7321756 0.87 MMP13 (0.50) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7321883 0.87 NAMPT (0.43) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7319594 0.86 NAMPT (0.42) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7324228 0.86 MMP13 (0.49) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7322594 0.83 MMP13 (0.47) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7321186 0.83 MMP13 (0.43) MMP13MMP9MMP1ADAM17NAMPT
Hydrochloric Acid SCHEMBL7322382 0.83 MMP9 (0.44) MMP13MMP9MMP1ADAM17NAMPT

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