SCHEMBL7354595

SCHEMBL7354595

COc1ccc(S(=O)(=O)c2c(C)c(N)c(Br)c(Cc3cccnc3)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.48
MMP13 P45452 9/20 0.48
MMP1 P03956 8/20 0.48
NAMPT P43490 6/20 0.46
ADAM17 P78536 5/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL7317439 0.92 MMP13 (0.49) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7311380 0.92 NAMPT (0.48) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7310019 0.91 MMP13 (0.51) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7319935 0.90 NAMPT (0.48) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7349842 0.90 MMP1 (0.47) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7311857 0.89 NAMPT (0.46) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7323477 0.88 NAMPT (0.44) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7316608 0.85 MMP13 (0.47) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7319594 0.85 NAMPT (0.42) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7324228 0.84 MMP13 (0.49) MMP9MMP13MMP1NAMPTADAM17

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