SCHEMBL7324634

SCHEMBL7324634

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3ccccc3Br)c2C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.50
MMP13 P45452 13/20 0.50
MMP2 P08253 12/20 0.50
MMP12 P39900 12/20 0.50
MMP8 P22894 9/20 0.50
MMP14 P50281 9/20 0.50
MMP16 P51512 9/20 0.50
MMP1 P03956 9/20 0.50
MMP3 P08254 8/20 0.50
ADAM17 P78536 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7314232 0.91 MMP2 (0.48) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7315652 0.90 MMP2 (0.49) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7323399 0.88 MMP9 (0.49) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7323949 0.85 EGFR (0.44) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7311930 0.85 MMP13 (0.48) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7316064 0.84 MMP9 (0.43) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7321847 0.84 MMP13 (0.44) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7312522 0.83 MMP13 (0.46) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7325505 0.83 MMP9 (0.46) MMP9MMP13MMP2MMP12MMP8
SCHEMBL7316841 0.82 MMP13 (0.42) MMP9MMP13MMP2MMP12MMP8

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