SCHEMBL6844879

SCHEMBL6844879

CNc1c(C2C=COC2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.31
HSP90AA1 P07900 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PKM P14618 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
SCHEMBL6844858 0.91 TSHR (0.34) POLBLMNACYP2D6ALDH1A1KMT2A
SCHEMBL6844919 0.85 POLB (0.34) POLBLMNACYP2D6ALDH1A1MAPT
SCHEMBL6844927 0.80 TARBP2 (0.32) ALDH1A1MAPTL3MBTL1
SCHEMBL6844920 0.80 ELANE (0.34) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL6844855 0.78 TSHR (0.32) CYP2D6ALDH1A1
SCHEMBL6844881 0.77 CA1 (0.38) ALDH1A1MAPTHTT
SCHEMBL6844872 0.76 CA1 (0.36) POLBALDH1A1ALOX12HTT
SCHEMBL6844851 0.75 ALDH1A1 (0.32) POLBALDH1A1L3MBTL1
SCHEMBL6844910 0.72 HTR6 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL1648197 0.72 METAP2 (0.38) POLBKMT2AHSP90AA1KDM4EKEAP1

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