SCHEMBL1649969

SCHEMBL1649969

COc1c(C(=O)O)ccc(CS(=O)(=O)c2ccccc2)c1-c1cncs1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KEAP1 Q14145 5/20 0.34
NFE2L2 Q16236 2/20 0.34
HSD11B1 P28845 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL1648189 0.82 ALOX5AP (0.36) KMT2AALDH1A1L3MBTL1USP2HPGD
SCHEMBL1648310 0.82 KMT2A (0.35) KMT2AALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL1649411 0.81 KMT2A (0.43) KMT2AALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL1648736 0.79 IMPDH2 (0.37) KMT2AALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL1648935 0.75 KMT2A (0.41) KMT2AALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL1648993 0.72 KMT2A (0.42) KMT2AALDH1A1L3MBTL1HTTKEAP1
SCHEMBL1648631 0.71 KMT2A (0.42) KMT2AALDH1A1L3MBTL1HPGDHSD11B1
SCHEMBL14717673 0.71 DHODH (0.36) KMT2AALDH1A1L3MBTL1USP2HPGD
SCHEMBL1648227 0.68 PTGS2 (0.40) KMT2AALDH1A1HPGDHSD11B1MAPT
SCHEMBL1647713 0.68 ERN1 (0.39) KMT2AALDH1A1L3MBTL1USP2HTT

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