SCHEMBL6772621

SCHEMBL6772621

O=C(O)C1(NS(=O)(=O)c2ccc3oc4cc(Br)ccc4c3c2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PLG P00747 4/20 0.48
▸ PLAU P00749 4/20 0.48
▸ PLAT P00750 1/20 0.48
▸ MMP12 P39900 13/20 0.42
▸ MMP13 P45452 12/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PARG Q86W56 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP14 P50281 1/20 0.39

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
SCHEMBL23693947 0.99 USP2 (0.51) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23673553 0.95 USP2 (0.51) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL6771478 0.90 MMP1 (0.47) MMP12MMP13MMP2MMP3MMP9
SCHEMBL23693537 0.88 MMP12 (0.42) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL7065810 0.85 SMN1; SMN2 (0.55) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23673499 0.83 MMP12 (0.42) USP2HTTSMN1; SMN2PLAUPLAT
SCHEMBL6772598 0.83 HTT (0.55) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL23693158 0.83 POLB (0.42) USP2HTTSMN1; SMN2PLGPLAU
SCHEMBL6417494 0.82 MMP12 (0.56) USP2HTTSMN1; SMN2MMP12MMP13
Hydroxyamine SCHEMBL7578513 0.81 HTT (0.53) USP2HTTSMN1; SMN2PLGPLAU

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-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 — — EP disclosed
US-6677355-B1 DIBENZOFURAN-3-(SULFONYLAMINO OR SULFINAMINO) DERIVATIVES; MULTIPLE SCLEROSIS, ATHEROSCLEROSIS, HEART FAILURE, PERIODONTAL DISEASE, OSTEOARTHRITIS, AUTOIMMUNE DISEASE; ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2004-01-13 — — US disclosed
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