SCHEMBL1648935

SCHEMBL1648935

COc1c(C(=O)O)ccc(CS(=O)(=O)c2ccccc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 5/20 0.40
KEAP1 Q14145 6/20 0.39
NFE2L2 Q16236 3/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PSIP1 O75475 1/20 0.37

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
SCHEMBL1647829 0.87 TSHR (0.44) KMT2AALDH1A1L3MBTL1HSD11B1NPC1
SCHEMBL1649411 0.83 KMT2A (0.43) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL1648993 0.81 KMT2A (0.42) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL1648084 0.79 ALDH1A1 (0.43) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL1648310 0.76 KMT2A (0.35) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL1648340 0.76 METAP2 (0.50) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL1649969 0.75 KMT2A (0.35) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL14717673 0.75 DHODH (0.36) KMT2AALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL1648736 0.75 IMPDH2 (0.37) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1
SCHEMBL1649919 0.75 KEAP1 (0.42) KMT2AALDH1A1L3MBTL1HSD11B1KEAP1

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