SCHEMBL6771478

SCHEMBL6771478

O=C(NO)C1(NS(=O)(=O)c2ccc3oc4cc(Br)ccc4c3c2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 17/20 0.47
▸ MMP13 P45452 17/20 0.47
▸ ADAM17 P78536 3/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP14 P50281 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
SCHEMBL6772621 0.90 USP2 (0.49) MMP13MMP2MMP3MMP9MMP12
SCHEMBL23693947 0.89 USP2 (0.51) MMP13MMP2MMP3MMP9MMP12
SCHEMBL23693537 0.87 MMP12 (0.42) MMP1MMP13MMP2MMP3MMP9
SCHEMBL23693158 0.86 POLB (0.42) MMP1MMP13MMP12
SCHEMBL23673553 0.85 USP2 (0.51) MMP13MMP2MMP3MMP9MMP12
SCHEMBL6771108 0.85 MMP1 (0.51) MMP1MMP13ADAM17
SCHEMBL23673499 0.82 MMP12 (0.42) MMP1MMP13MMP2MMP3MMP9
SCHEMBL23693960 0.82 POLB (0.42) MMP1MMP13MMP12
SCHEMBL6771228 0.79 MMP1 (0.50) MMP1MMP13ADAM17MMP2MMP3
SCHEMBL6778949 0.78 MMP1 (0.49) MMP1MMP13ADAM17MMP2MMP3

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-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 claimed
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