SCHEMBL4455255

SCHEMBL4455255

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
GAA P10253 2/20 0.43
SCD O00767 1/20 0.42
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 2/20 0.38
CSNK1D P48730 1/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 2/20 0.37
PCSK9 Q8NBP7 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4464061 1.00 RAB9A (0.43) RAB9ANPC1GAASCDTNF
SCHEMBL4469855 1.00 RAB9A (0.43) RAB9ANPC1GAASCDTNF
SCHEMBL4466206 0.85 KMT2A (0.38) RAB9ANPC1GAASCDTNF
SCHEMBL4456544 0.85 KMT2A (0.43) RAB9ANPC1GAASCDTNF
SCHEMBL4452838 0.82 RAB9A (0.48) RAB9ANPC1GAASCDTNF
SCHEMBL4452847 0.82 RAB9A (0.48) RAB9ANPC1GAASCDTNF
SCHEMBL4452906 0.82 RAB9A (0.48) RAB9ANPC1GAASCDTNF
SCHEMBL4469745 0.75 ADORA1 (0.48) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL16972931 0.74 NPC1 (0.54) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL11099522 0.74 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 1 patent. 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