SCHEMBL7410709

SCHEMBL7410709

COc1ccc(S(=O)(=O)c2c(Br)sc(NCc3cccnc3)c2C(=O)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.52
MMP13 P45452 9/20 0.52
MMP1 P03956 8/20 0.52
NAMPT P43490 6/20 0.52
ADAM17 P78536 6/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7415784 0.92 NAMPT (0.53) MMP9MMP13MMP1NAMPTGAA
SCHEMBL7418266 0.92 NAMPT (0.53) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7316683 0.80 NAMPT (0.52) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7318935 0.80 MMP9 (0.53) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7319361 0.79 MMP9 (0.56) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7324861 0.78 NAMPT (0.52) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7323200 0.76 MMP13 (0.50) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7410712 0.75 MMP9 (0.50) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7310019 0.74 MMP13 (0.51) MMP9MMP13MMP1NAMPTADAM17
SCHEMBL7324228 0.74 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-5962481-A ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; WOUND HEALING AGENTS;ANTIULCER AGENTS; ORAL DISEASES; CENTRAL NERVOUS SYTEM DISORDERS; ANTIINFLAMMATORY AGENTS; CONGESTIVE HEART FAILURE;VISION DISORDERS AMERICAN CYANAMID COMPANY (US) 1999-10-05 US disclosed