SCHEMBL7316608

SCHEMBL7316608

COC(=O)c1c(Cc2cccnc2)c(C)c(N)c(Br)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.47
MMP1 P03956 14/20 0.47
MMP9 P14780 14/20 0.47
NAMPT P43490 4/20 0.47
ADAM17 P78536 9/20 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
SCHEMBL7317439 0.93 MMP13 (0.49) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7324228 0.92 MMP13 (0.49) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7324058 0.92 NAMPT (0.49) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7313804 0.89 ALDH1A1 (0.45) MMP13MMP1MMP9ADAM17
SCHEMBL7319145 0.86 NAMPT (0.47) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7349842 0.85 MMP1 (0.47) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7310019 0.85 MMP13 (0.51) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7321756 0.85 MMP13 (0.50) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7354595 0.85 MMP9 (0.48) MMP13MMP1MMP9NAMPTADAM17
SCHEMBL7320893 0.84 NAMPT (0.46) MMP13MMP1MMP9NAMPTADAM17

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