SCHEMBL6872152

SCHEMBL6872152

CNC(CNC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 3/20 0.41
CA14 Q9ULX7 1/20 0.41
SYK P43405 1/20 0.40
SERPINE1 P05121 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA7 P43166 1/20 0.37
KLK5 Q9Y337 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
SCHEMBL10328422 1.00 MEN1 (0.42) MEN1GAAKMT2ATDP1CA12
SCHEMBL14110740 0.88 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL20479738 0.86 CTSK (0.49) MEN1GAAKMT2ATDP1SYK
SCHEMBL20479736 0.86 CTSK (0.49) MEN1GAAKMT2ATDP1SYK
SCHEMBL12358021 0.85 SYK (0.42) MEN1GAAKMT2ATDP1CA12
SCHEMBL26342029 0.85 CTSK (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL15483314 0.85 SYK (0.42) MEN1GAAKMT2ATDP1CA12
SCHEMBL1854217 0.84 MEN1 (0.51) MEN1GAAKMT2ATDP1SYK
SCHEMBL2682024 0.84 MEN1 (0.51) MEN1GAAKMT2ATDP1SYK
SCHEMBL20556183 0.83 MEN1 (0.51) MEN1GAAKMT2ATDP1CA12

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
WO-2011001088-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-06 WO disclosed