SCHEMBL6935658

SCHEMBL6935658

COC(=O)C[n+]1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 5/20 0.39
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
APOBEC3A P31941 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GMNN O75496 1/20 0.33
PTAFR P25105 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 SCHEMBL2955255 0.98 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AUSP2KDM4E
Bromide SCHEMBL6432443 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL14008412 0.77 ALDH1A1 (0.55) ALDH1A1
Hydrochloric Acid SCHEMBL2953104 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1
SCHEMBL17817035 0.75 NAAA (0.50) ALDH1A1TSHRUSP2LMNAGMNN
SCHEMBL12534300 0.71 KMT2A (0.50) ALDH1A1TSHRKMT2AUSP2KDM4E
SCHEMBL8390045 0.71 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4ELMNAMAPT
Bromide SCHEMBL3853715 0.70 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL5848674 0.69 HSP90AA1 (0.50) ALDH1A1KMT2AUSP2KDM4EMEN1
Bromide SCHEMBL9080240 0.69 KMT2A (0.53) ALDH1A1TSHRKMT2AUSP2KDM4E

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