SCHEMBL7758669

SCHEMBL7758669

O=C(NO)C1CSCCN1S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.76
MMP3 P08254 10/20 0.76
MMP13 P45452 10/20 0.76
MMP7 P09237 7/20 0.76
MMP9 P14780 8/20 0.66
ADAM17 P78536 4/20 0.66
MMP2 P08253 6/20 0.65
MMP14 P50281 1/20 0.53
MMP8 P22894 2/20 0.51

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
SCHEMBL6865351 1.00 MMP1 (0.76) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6268904 0.91 MMP1 (0.76) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6270548 0.86 MMP1 (1.00) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7347544 0.84 MMP1 (0.57) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7349146 0.84 MMP1 (0.57) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7532596 0.83 MMP1 (0.73) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7532601 0.83 MMP1 (0.73) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7923021 0.82 MMP1 (0.75) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7923015 0.82 MMP1 (0.75) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6268928 0.82 MMP1 (0.75) MMP1MMP3MMP13MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed