SCHEMBL7322011

SCHEMBL7322011

COc1ccc(S(=O)(=O)c2c(C)c(N)c(-c3ccc(C(C)=O)s3)c(Cc3cccnc3)c2C(=O)NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 18/20 0.43
MMP13 P45452 18/20 0.43
MMP1 P03956 17/20 0.43
ADAM17 P78536 14/20 0.43
NAMPT P43490 2/20 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
SCHEMBL7319557 0.93 NAMPT (0.42) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7321470 0.92 NAMPT (0.41) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7321186 0.90 MMP13 (0.43) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322594 0.87 MMP13 (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7321756 0.86 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
Hydrochloric Acid SCHEMBL7322382 0.84 MMP9 (0.44) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7310019 0.84 MMP13 (0.51) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317379 0.84 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322257 0.84 MMP13 (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317078 0.84 MMP13 (0.51) 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