SCHEMBL4453343

SCHEMBL4453343

O=NSCC(Nc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.50
NCS1 P62166 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SCD O00767 2/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
ADORA1 P30542 1/20 0.46
DYRK1A Q13627 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL4459664 0.88 CSNK1D (0.48) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4459671 0.88 CSNK1D (0.48) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4458533 0.81 NPC1 (0.59) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL5827952 0.81 CSNK1D (0.56) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL13408929 0.81 CSNK1D (0.56) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457418 0.80 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4457424 0.80 CSNK1D (0.54) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
SCHEMBL4462546 0.79 ALOX5 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL4457160 0.79 CSNK1D (0.53) CSNK1DNCS1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9009337 0.79 CSNK1D (0.56) 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