SCHEMBL4468259

SCHEMBL4468259

O=NSCC[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.47
MAPT P10636 8/20 0.46
ADORA3 P0DMS8 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GSTO1 P78417 1/20 0.45
CSNK2A1 P68400 1/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 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
SCHEMBL4458423 0.82 ELOVL1 (0.46) ELOVL1MAPTADORA3MEN1KMT2A
SCHEMBL4458415 0.82 ELOVL1 (0.46) ELOVL1MAPTADORA3MEN1KMT2A
SCHEMBL4455136 0.82 HDAC3 (0.56) ELOVL1MAPTADORA3MEN1KMT2A
SCHEMBL4455141 0.82 HDAC3 (0.56) ELOVL1MAPTADORA3MEN1KMT2A
SCHEMBL4459664 0.79 CSNK1D (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4459671 0.79 CSNK1D (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL12678090 0.78 ELOVL1 (0.60) ELOVL1MAPTADORA3MEN1KMT2A
SCHEMBL9179947 0.78 ELOVL1 (0.60) ELOVL1MAPTADORA3MEN1KMT2A
SCHEMBL4455498 0.77 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL19134400 0.75 ROCK2 (0.56) ELOVL1MAPTADORA3MEN1KMT2A

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