SCHEMBL4452838

SCHEMBL4452838

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
GAA P10253 2/20 0.48
SCD O00767 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
TNF P01375 1/20 0.43
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 2/20 0.41
ELANE P08246 3/20 0.41
MAPT P10636 1/20 0.41
CSNK1D P48730 1/20 0.41
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP26A1 O43174 1/20 0.39

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
SCHEMBL4452847 1.00 RAB9A (0.48) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4452906 1.00 RAB9A (0.48) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4469735 0.83 RAB9A (0.40) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4469739 0.83 RAB9A (0.40) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4457144 0.83 MEN1 (0.44) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4457150 0.83 MEN1 (0.44) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4455255 0.82 RAB9A (0.43) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4469855 0.82 RAB9A (0.43) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4464061 0.82 RAB9A (0.43) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL11099522 0.79 NPC1 (0.54) RAB9ANPC1GAASCDSMN1; 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 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