SCHEMBL328410

SCHEMBL328410

COCCOC(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.42
BMP1 P13497 3/20 0.42
MMP1 P03956 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
MMP7 P09237 2/20 0.41
MMP12 P39900 2/20 0.41
MMP3 P08254 9/20 0.39
SCN9A Q15858 1/20 0.39
MMP2 P08253 2/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL6850876 0.91 MMP1 (0.46) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL6850859 0.91 SCN9A (0.38) BMP1SCN9AMMP2CACNA1HCACNA1B
SCHEMBL328402 0.90 MEP1B (0.44) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL10067174 0.82 MMP1 (0.54) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL328418 0.81 MMP1 (0.45) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL328404 0.80 BMP1 (0.43) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL328653 0.80 MMP13 (0.46) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL6850430 0.76 MMP1 (0.46) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL6863608 0.72 MMP1 (0.47) MEP1BBMP1MMP1MMP8MMP13
SCHEMBL6864106 0.72 MMP3 (0.50) MEP1BBMP1MMP1MMP8MMP13

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
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed