SCHEMBL7680133

SCHEMBL7680133

CN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)C(C(=O)NO)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.39
MMP3 P08254 6/20 0.39
MMP1 P03956 5/20 0.39
MMP9 P14780 4/20 0.39
MMP7 P09237 3/20 0.39
ADAM17 P78536 2/20 0.37
MMP8 P22894 6/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7680126 1.00 MMP13 (0.39) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7057190 0.92 MMP3 (0.41) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7352231 0.90 MMP3 (0.40) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7059119 0.90 MMP13 (0.35) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7353097 0.86 MMP1 (0.43) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7055845 0.86 MMP1 (0.43) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7057754 0.86 MMP3 (0.43) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7058579 0.85 MMP3 (0.53) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7051935 0.84 MMP1 (0.41) MMP13MMP3MMP1MMP9MMP7
SCHEMBL7054506 0.83 GAA (0.43) MMP13MMP3MMP1MMP9MMP7

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-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed