SCHEMBL28753604

SCHEMBL28753604

CC(C)C(NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 9/20 0.54
▸ MMP2 P08253 9/20 0.54
▸ MMP13 P45452 8/20 0.54
▸ MMP3 P08254 7/20 0.54
▸ MMP1 P03956 6/20 0.54
▸ MMP7 P09237 6/20 0.54
▸ ADAMTS4 O75173 5/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ MMP8 P22894 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL3612014 1.00 MMP9 (0.54) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3607260 0.90 MMP9 (0.58) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3620408 0.85 MMP9 (0.47) MMP9MMP2MMP13MMP3MMP1
SCHEMBL1655654 0.76 ADAMTS4 (0.67) MMP9MMP2MMP13MMP3MMP1
SCHEMBL8283343 0.76 ADAMTS4 (0.67) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3103313 0.76 MMP2 (0.77) MMP9MMP2MMP13MMP3MMP1
SCHEMBL7935790 0.76 MMP2 (0.69) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3617858 0.76 MMP2 (0.77) MMP9MMP2MMP13MMP3MMP1
SCHEMBL13978774 0.76 MMP2 (0.52) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3608270 0.75 MMP2 (0.68) MMP9MMP2MMP13MMP3MMP1

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
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 — — CN disclosed
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