SCHEMBL6844868

SCHEMBL6844868

CC(C)(C)OC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(-c2ccoc2)c1OCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.35
NAT1 P18440 3/20 0.33
ELANE P08246 1/20 0.33
GRM6 O15303 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ALOX5AP P20292 1/20 0.31
HSD11B1 P28845 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
MMP13 P45452 1/20 0.30

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
SCHEMBL1648322 0.91 METAP2 (0.34) METAP2NAT1ELANEGRM6MCL1
SCHEMBL1648908 0.89 METAP2 (0.34) METAP2NAT1ELANEMCL1
SCHEMBL1648460 0.86 NAT1 (0.36) METAP2NAT1ELANEGRM6KDM4E
SCHEMBL1648181 0.82 CA1 (0.40) METAP2ALDH1A1GLAMAPTHPGD
SCHEMBL1648491 0.82 METAP2 (0.36) METAP2NAT1ALOX5APFABP4FABP5
SCHEMBL1648296 0.81 PDK2 (0.37) METAP2NAT1ELANEMCL1FABP4
SCHEMBL1648313 0.81 PPARG (0.39) METAP2KDM4EMEN1ALDH1A1GAA
SCHEMBL1648453 0.81 NPSR1 (0.36) METAP2NAT1MEN1ALDH1A1GAA
SCHEMBL1648578 0.81 METAP2 (0.43) METAP2NAT1ELANEGRM6FABP4
SCHEMBL1648204 0.80 CA12 (0.37) METAP2MCL1KDM4EALDH1A1GLA

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-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed