SCHEMBL4456544

SCHEMBL4456544

CC(C)(SN=O)[C@@H](Nc1nc2ccccc2o1)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.37
FBP1 P09467 2/20 0.37
MAPT P10636 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN5 P54829 1/20 0.37
HSD17B10 Q99714 1/20 0.37
XDH P47989 2/20 0.36
NLRP3 Q96P20 2/20 0.36
SCD O00767 1/20 0.36
ALOX12 P18054 1/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL4466206 0.89 KMT2A (0.38) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4457150 0.85 MEN1 (0.44) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4457144 0.85 MEN1 (0.44) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4469855 0.85 RAB9A (0.43) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4455255 0.85 RAB9A (0.43) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4464061 0.85 RAB9A (0.43) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4469735 0.73 RAB9A (0.40) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4469739 0.73 RAB9A (0.40) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4456549 0.71 RAB9A (0.38) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL4452906 0.70 RAB9A (0.48) KMT2AALDH1A1NPC1RAB9AGAA

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