SCHEMBL6844920

SCHEMBL6844920

COC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(C2C=COC2)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
ACACB O00763 1/20 0.34
RORC P51449 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
NAMPT P43490 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
XBP1 P17861 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 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
SCHEMBL6844881 0.90 CA1 (0.38) ELANERORCCA1CA2CA12
SCHEMBL6844871 0.81 MALT1 (0.39) ACACBRORCCA1CA2CA12
SCHEMBL6844879 0.80 POLB (0.36) MAPTPOLBALDH1A1HTTKMT2A
SCHEMBL6844919 0.78 POLB (0.34) ELANERORCMAPTPOLBALDH1A1
SCHEMBL14727527 0.76 METAP2 (0.35) ELANECA1CA12CA7CA14
SCHEMBL6844858 0.73 TSHR (0.34) CA2CA12POLBALDH1A1HTT
SCHEMBL6844927 0.72 TARBP2 (0.32) MAPTALDH1A1
SCHEMBL6844872 0.72 CA1 (0.36) CA1CA2CA12CA7CA14
SCHEMBL6844910 0.70 HTR6 (0.32) ALDH1A1HSD17B10KMT2AMEN1TSHR
SCHEMBL1648546 0.70 CA1 (0.45) CA1CA2CA12MAPTALDH1A1

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