SCHEMBL7318942

SCHEMBL7318942

COC(=O)c1cc(Cc2cccnc2)c(N)c(C(=O)NO)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.52
MMP9 P14780 17/20 0.52
MMP1 P03956 17/20 0.52
ADAM17 P78536 13/20 0.52
NAMPT P43490 2/20 0.46

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
SCHEMBL7316691 0.93 MMP13 (0.48) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7316589 0.91 NAMPT (0.47) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7322273 0.88 NAMPT (0.48) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7318793 0.86 MMP9 (0.53) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7316225 0.86 NAMPT (0.47) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7317531 0.86 NAMPT (0.47) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7322044 0.85 NAMPT (0.47) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7324868 0.85 MMP9 (0.50) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7314654 0.85 MMP9 (0.46) MMP13MMP9MMP1ADAM17NAMPT
SCHEMBL7320609 0.84 MMP9 (0.49) 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