SCHEMBL4469735

SCHEMBL4469735

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
SCD O00767 1/20 0.39
CASP6 P55212 1/20 0.39
TNF P01375 1/20 0.38
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 3/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CSNK1D P48730 1/20 0.37
MAPT P10636 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
SCHEMBL4469739 1.00 RAB9A (0.40) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4457150 0.88 MEN1 (0.44) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4457144 0.88 MEN1 (0.44) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4466206 0.84 KMT2A (0.38) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4452847 0.83 RAB9A (0.48) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4452838 0.83 RAB9A (0.48) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4452906 0.83 RAB9A (0.48) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4458448 0.81 NPC1 (0.43) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4458454 0.81 NPC1 (0.43) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL4468902 0.74 NPC1 (0.39) RAB9ANPC1GAASMN1; SMN2TP53

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 3 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
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed