SCHEMBL6937529

SCHEMBL6937529

CC(=O)OCCc1sc[n+](CC(N)=O)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.58
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 8/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
MITF O75030 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 6/20 0.43
ALDH1A1 P00352 7/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
Bromide SCHEMBL2955991 0.99 TKT (0.57) TKTOPRM1OPRD1LMNAMAPT
SCHEMBL6939902 0.85 TKT (0.54) TKTOPRM1OPRD1LMNAMAPT
Bromide SCHEMBL2952819 0.84 TKT (0.53) TKTOPRM1OPRD1LMNAMAPT
SCHEMBL5015373 0.81 TKT (0.51) TKT
SCHEMBL7617978 0.80 TKT (0.53) TKTOPRM1OPRD1LMNAMAPT
Bromide SCHEMBL7400580 0.80 TKT (0.50) TKT
Bromide SCHEMBL7400578 0.78 TKT (0.49) TKT
SCHEMBL13741787 0.74 TKT (1.00) TKTTDP1
SCHEMBL24786606 0.73 TDP1 (0.73) TKTLMNAALDH1A1KDM4ETDP1
SCHEMBL27408216 0.72 TDP1 (0.71) TKTLMNAALDH1A1KDM4ETDP1

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
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US claimed