SCHEMBL27465010

SCHEMBL27465010

COC(=O)C(C(C)C)N(Cc1ccccc1)S(=O)(=O)CC=CNCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
KMT2A Q03164 4/20 0.40
MMP2 P08253 7/20 0.39
MMP9 P14780 7/20 0.39
MMP8 P22894 6/20 0.39
MMP13 P45452 5/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
MMP1 P03956 1/20 0.39
MEN1 O00255 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5A P35218 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 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
SCHEMBL27419296 0.87 ATM (0.59) ATMKMT2AMMP2MMP9MMP8
SCHEMBL4671232 0.79 ATM (0.56) ATMKMT2AMMP2MMP9MMP8
SCHEMBL4671238 0.79 ATM (0.56) ATMKMT2AMMP2MMP9MMP8
SCHEMBL27480105 0.74 MMP2 (0.56) ATMMMP2MMP9MMP8MMP13
SCHEMBL4675370 0.74 ATM (0.60) ATMKMT2AMMP2MMP9MMP8
SCHEMBL4675367 0.74 ATM (0.60) ATMKMT2AMMP2MMP9MMP8
SCHEMBL4671235 0.73 ATM (0.59) ATMKMT2AMMP2MMP9MMP8
SCHEMBL17559610 0.68 ATM (0.52) ATMKMT2AMMP2MMP9MMP8
SCHEMBL17559609 0.68 ATM (0.52) ATMKMT2AMMP2MMP9MMP8
SCHEMBL27695649 0.67 SIGMAR1 (0.51) KMT2ACA2MEN1CA12CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093125-C Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-23 CN disclosed
CN-1250445-A Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed