SCHEMBL4459664

SCHEMBL4459664

O=NSCC[C@H](Nc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.48
NCS1 P62166 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SCD O00767 2/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
ADORA1 P30542 1/20 0.44
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4459671 1.00 CSNK1D (0.48) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4453343 0.88 CSNK1D (0.50) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4456005 0.88 NPC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL4456002 0.88 NPC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL23273787 0.86 NPC1 (0.50) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4452874 0.84 ADORA1 (0.50) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4452888 0.84 ADORA1 (0.50) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457418 0.83 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457424 0.83 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457435 0.82 CSNK1D (0.46) CSNK1DNCS1SMN1; SMN2NPC1RAB9A

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