SCHEMBL4457150

SCHEMBL4457150

CC(C)(S)C(Nc1nc2ccccc2o1)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
GAA P10253 2/20 0.40
FBP1 P09467 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCD O00767 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.38
LARS1 Q9P2J5 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 1.00 MEN1 (0.44) MEN1KMT2APOLBCASP6NPC1
SCHEMBL4469735 0.88 RAB9A (0.40) MEN1KMT2APOLBCASP6NPC1
SCHEMBL4469739 0.88 RAB9A (0.40) MEN1KMT2APOLBCASP6NPC1
SCHEMBL4456544 0.85 KMT2A (0.43) MEN1KMT2APOLBCASP6NPC1
SCHEMBL4452906 0.83 RAB9A (0.48) KMT2ANPC1RAB9AGAAMAPT
SCHEMBL4452838 0.83 RAB9A (0.48) KMT2ANPC1RAB9AGAAMAPT
SCHEMBL4452847 0.83 RAB9A (0.48) KMT2ANPC1RAB9AGAAMAPT
SCHEMBL4464811 0.75 MEN1 (0.42) MEN1KMT2APOLBCASP6NPC1
SCHEMBL4466206 0.73 KMT2A (0.38) MEN1KMT2APOLBCASP6NPC1
SCHEMBL4456549 0.73 RAB9A (0.38) MEN1KMT2APOLBCASP6NPC1

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