SCHEMBL7339164

SCHEMBL7339164

O=C(NO)[C@@H]1C[S@@+]([O-])CCN1S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 12/20 0.51
▸ MMP9 P14780 8/20 0.51
▸ MMP13 P45452 6/20 0.51
▸ MMP3 P08254 12/20 0.50
▸ MMP7 P09237 9/20 0.50
▸ MMP2 P08253 5/20 0.50
▸ MMP8 P22894 3/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ MMP12 P39900 1/20 0.49
▸ MMP14 P50281 1/20 0.49

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
SCHEMBL7345291 0.87 MMP1 (0.67) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7350096 0.84 MMP1 (0.41) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6269273 0.82 MMP3 (0.63) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7532601 0.82 MMP1 (0.73) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7532596 0.82 MMP1 (0.73) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7923021 0.81 MMP1 (0.75) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7923015 0.81 MMP1 (0.75) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6865351 0.79 MMP1 (0.76) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7758669 0.79 MMP1 (0.76) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6752977 0.79 MMP13 (0.78) MMP1MMP9MMP13MMP3MMP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 — — EP disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 — — WO disclosed
Send feedback