SCHEMBL6939902

SCHEMBL6939902

COC(=O)C[n+]1csc(CCOC(C)=O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 2/20 0.54
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
LMNA P02545 5/20 0.46
MAPT P10636 8/20 0.44
ALDH1A1 P00352 7/20 0.44
NPSR1 Q6W5P4 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPK1 P28482 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
Bromide SCHEMBL2952819 0.99 TKT (0.53) TKTOPRM1OPRD1LMNAMAPT
SCHEMBL6937529 0.85 TKT (0.58) TKTOPRM1OPRD1LMNAMAPT
Bromide SCHEMBL2955991 0.84 TKT (0.57) TKTOPRM1OPRD1LMNAMAPT
SCHEMBL6936407 0.83 TKT (0.46) TKT
Bromide SCHEMBL2946803 0.82 TKT (0.46) TKTOPRM1OPRD1
SCHEMBL7617978 0.76 TKT (0.53) TKTOPRM1OPRD1LMNAMAPT
SCHEMBL3968660 0.75 KMT2A (0.51) TKTOPRM1OPRD1LMNAMAPT
Bromide SCHEMBL2953593 0.73 KMT2A (0.54) TKTOPRM1OPRD1LMNAMAPT
Bromide SCHEMBL7820785 0.72 TKT (0.44) TKTOPRM1OPRD1LMNAMAPT
SCHEMBL13741787 0.70 TKT (1.00) TKT

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