SCHEMBL4464811

SCHEMBL4464811

CC(S)(CNc1nc2ccccc2o1)CC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
PCSK9 Q8NBP7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FBP1 P09467 1/20 0.39
CSNK1D P48730 1/20 0.38

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
SCHEMBL4457144 0.75 MEN1 (0.44) MEN1KMT2APOLBCASP6ALDH1A1
SCHEMBL4457150 0.75 MEN1 (0.44) MEN1KMT2APOLBCASP6ALDH1A1
SCHEMBL2541602 0.74 PCSK9 (0.52) MEN1KMT2APCSK9ALDH1A1NPC1
SCHEMBL5021496 0.70 PCSK9 (0.59) MEN1KMT2APCSK9ALDH1A1NPC1
SCHEMBL4464805 0.70 RAB9A (0.40) MEN1KMT2APOLBCASP6ALDH1A1
SCHEMBL4456544 0.69 KMT2A (0.43) MEN1KMT2APOLBCASP6ALDH1A1
SCHEMBL27845644 0.69 MEN1 (0.78) MEN1KMT2APOLBCASP6ALDH1A1
SCHEMBL16448427 0.69 EGFR (0.53) RAB9AGAASMN1; SMN2MAPTHPGD
SCHEMBL8977438 0.67 NPC1 (0.56) MEN1KMT2APOLBCASP6PCSK9
SCHEMBL22242755 0.66 PCSK9 (0.65) MEN1KMT2APOLBPCSK9ALDH1A1

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-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed