SCHEMBL4455587

SCHEMBL4455587

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
GAA P10253 2/20 0.40
SCD O00767 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
ELANE P08246 7/20 0.38
CTSS P25774 4/20 0.37
CSNK1D P48730 1/20 0.37
PTPN2 P17706 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4468908 0.82 NPC1 (0.39) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4457420 0.73 NPC1 (0.50) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4464697 0.73 NPC1 (0.50) RAB9ANPC1GAASCDSMN1; SMN2
Hydrochloric Acid SCHEMBL4456761 0.72 NPC1 (0.49) RAB9ANPC1GAASCDSMN1; SMN2
Hydrochloric Acid SCHEMBL4456756 0.72 NPC1 (0.49) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL7682517 0.71 NPC1 (0.51) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL7682513 0.71 NPC1 (0.51) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4464835 0.71 NPC1 (0.49) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4468163 0.71 NPC1 (0.49) RAB9ANPC1GAASCDSMN1; SMN2
SCHEMBL4452899 0.71 NPC1 (0.45) 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 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