SCHEMBL1649449

SCHEMBL1649449

CCOC(=O)c1c(CS(=O)(=O)c2ccc(F)cc2C=CCO)ccc(Br)c1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
MAPT P10636 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GRM6 O15303 1/20 0.31
PRKCZ Q05513 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
SCHEMBL1649460 0.92 METAP2 (0.43) METAP2SMN1; SMN2GAAALDH1A1
SCHEMBL6844921 0.92 METAP2 (0.43) METAP2SMN1; SMN2GAAALDH1A1
SCHEMBL1649459 0.92 METAP2 (0.43) METAP2SMN1; SMN2GAAALDH1A1
SCHEMBL1648328 0.91 METAP2 (0.54) METAP2MAPTMEN1KMT2AALOX15
SCHEMBL14717297 0.89 METAP2 (0.48) METAP2SMN1; SMN2ALDH1A1
SCHEMBL14717298 0.89 METAP2 (0.48) METAP2SMN1; SMN2ALDH1A1
SCHEMBL462417 0.83 METAP2 (0.42) METAP2
SCHEMBL14717510 0.83 METAP2 (0.57) METAP2
SCHEMBL462418 0.83 METAP2 (0.42) METAP2
SCHEMBL436523 0.83 METAP2 (0.57) 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