SCHEMBL7325574

SCHEMBL7325574

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3cccc(Br)c3)c2C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.40
MMP9 P14780 9/20 0.40
MMP13 P45452 8/20 0.40
MMP14 P50281 7/20 0.40
MMP8 P22894 6/20 0.40
MMP12 P39900 6/20 0.40
MMP16 P51512 6/20 0.40
MMP1 P03956 5/20 0.40
MMP3 P08254 4/20 0.40
ADAM17 P78536 3/20 0.40
TP53 P04637 2/20 0.39
ADAM10 O14672 1/20 0.38
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
MCL1 Q07820 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7311138 0.92 MMP13 (0.39) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7316126 0.91 TAS2R14 (0.45) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7316064 0.91 MMP9 (0.43) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7322659 0.89 MMP2 (0.47) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7318675 0.84 MMP2 (0.45) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7315652 0.83 MMP2 (0.49) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7321847 0.83 MMP13 (0.44) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7311380 0.83 NAMPT (0.48) MMP2MMP9MMP13MMP1ADAM17
SCHEMBL7324368 0.83 CA1 (0.42) MMP2MMP9MMP13MMP14MMP8
SCHEMBL7323399 0.82 MMP9 (0.49) MMP2MMP9MMP13MMP14MMP8

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