SCHEMBL8316859

SCHEMBL8316859

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALOX15 P16050 2/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
ABCB11 O95342 1/20 0.55
F2 P00734 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
CYP2C9 P11712 1/20 0.55
HIF1A Q16665 1/20 0.55
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GRIK1 P39086 1/20 0.31

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
Succimer SCHEMBL17472961 0.74 ALDH1A1 (1.00) HPGDHSD17B10TDP1ALOX15LMNA
Succimer SCHEMBL28577215 0.74 ALDH1A1 (1.00) HPGDHSD17B10TDP1ALOX15LMNA
Succimer SCHEMBL14941 0.74 ALDH1A1 (1.00) HPGDHSD17B10TDP1ALOX15LMNA
Succimer SCHEMBL14942 0.74 ALDH1A1 (1.00) HPGDHSD17B10TDP1ALOX15LMNA
Succimer SCHEMBL28566852 0.74 ALDH1A1 (1.00) HPGDHSD17B10TDP1ALOX15LMNA
SCHEMBL15998905 0.73 MAPT (0.69) HPGDHSD17B10TDP1ALOX15LMNA
SCHEMBL17954019 0.73 MAPT (0.69) HPGDHSD17B10TDP1ALOX15LMNA
SCHEMBL8313428 0.73 ALDH1A1 (0.69) HPGDHSD17B10TDP1ALOX15LMNA
Succimer SCHEMBL23522179 0.71 ALDH1A1 (0.92) HPGDHSD17B10TDP1ALOX15LMNA
Succimer SCHEMBL9443852 0.71 ALDH1A1 (0.92) HPGDHSD17B10TDP1ALOX15LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724601-A4 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORP (US) 1999-02-03 EP disclosed
EP-0724601-A1 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1996-08-07 EP disclosed
WO-1995005398-A1 S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1995-02-23 WO disclosed