SCHEMBL6844883

SCHEMBL6844883

COc1c(Br)ccc(CS(=O)(=O)c2ccccc2Br)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
METAP2 P50579 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 1/20 0.35
PTAFR P25105 1/20 0.35
MMP2 P08253 2/20 0.34
MMP8 P22894 2/20 0.34
MMP12 P39900 2/20 0.34
MMP13 P45452 2/20 0.34
MMP14 P50281 2/20 0.34
MMP16 P51512 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL1648256 0.89 PLCG1 (0.41) PLCG1POLBALDH1A1KDM4EMEN1
SCHEMBL1648084 0.87 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2TSHRMETAP2
SCHEMBL1648544 0.84 METAP2 (0.35) POLBSMN1; SMN2TSHRMETAP2MMP13
SCHEMBL6844885 0.84 METAP2 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL14717327 0.84 METAP2 (0.35) POLBSMN1; SMN2TSHRMETAP2MMP13
SCHEMBL14725639 0.82 PLCG1 (0.46) PLCG1POLBALDH1A1KDM4EL3MBTL1
SCHEMBL1648329 0.80 CA1 (0.40) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1649073 0.80 TP53 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL28104295 0.79 POLB (0.43) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL6844882 0.79 LMNA (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR

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