SCHEMBL4456549

SCHEMBL4456549

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
TNF P01375 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SCD O00767 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
HCRTR1 O43613 3/20 0.33
ELANE P08246 2/20 0.33
HCRTR2 O43614 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL4466209 0.89 NPC1 (0.40) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4457144 0.73 MEN1 (0.44) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4457150 0.73 MEN1 (0.44) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4468908 0.72 NPC1 (0.39) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4452906 0.72 RAB9A (0.48) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4452847 0.72 RAB9A (0.48) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4452838 0.72 RAB9A (0.48) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4456544 0.71 KMT2A (0.43) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4455255 0.70 RAB9A (0.43) RAB9ANPC1TNFGAASMN1; SMN2
SCHEMBL4469855 0.70 RAB9A (0.43) RAB9ANPC1TNFGAASMN1; SMN2

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