SCHEMBL1648552

SCHEMBL1648552

CCOC(=O)c1c(CS(=O)(=O)c2ccc(F)cc2C=CCN(CC)CC)ccc(Br)c1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.47
MAPT P10636 5/20 0.34
TSHR P16473 4/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FLT3 P36888 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL1648937 0.92 METAP2 (0.52) METAP2MAPTHSD17B10MEN1KMT2A
SCHEMBL462403 0.92 METAP2 (0.52) METAP2MAPTHSD17B10MEN1KMT2A
SCHEMBL435999 0.92 METAP2 (0.52) METAP2MAPTHSD17B10MEN1KMT2A
SCHEMBL1648328 0.90 METAP2 (0.54) METAP2MAPTTSHRALOX15HSD17B10
SCHEMBL14717898 0.89 METAP2 (0.54) METAP2FLT3
SCHEMBL14717899 0.89 METAP2 (0.54) METAP2FLT3
SCHEMBL436523 0.83 METAP2 (0.57) METAP2FLT3
SCHEMBL14717510 0.83 METAP2 (0.57) METAP2FLT3
SCHEMBL462796 0.83 METAP2 (0.57) METAP2FLT3
SCHEMBL14717275 0.82 METAP2 (0.63) METAP2

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
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed