SCHEMBL6935702

SCHEMBL6935702

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.45
RCE1 Q9Y256 1/20 0.45
GAA P10253 1/20 0.41

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 SCHEMBL3854785 0.98 KMT2A (0.56) KMT2AALDH1A1MEN1RCE1GAA
SCHEMBL14008412 0.77 ALDH1A1 (0.55) ALDH1A1
Hydrochloric Acid SCHEMBL2953104 0.76 ALDH1A1 (0.50) KMT2AALDH1A1MEN1
Bromide SCHEMBL8389740 0.75 ALDH1A1 (0.38) KMT2AALDH1A1MEN1RCE1GAA
SCHEMBL6935658 0.73 ALDH1A1 (0.47) KMT2AALDH1A1MEN1GAA
Bromide SCHEMBL2955255 0.72 ALDH1A1 (0.50) KMT2AALDH1A1MEN1GAA
SCHEMBL12118318 0.71 KMT2A (0.96) KMT2AALDH1A1MEN1RCE1GAA
SCHEMBL7074123 0.63 ALDH1A1 (0.69) KMT2AALDH1A1MEN1GAA
SCHEMBL31623847 0.63
SCHEMBL9854811 0.58 KMT2A (0.37) KMT2AALDH1A1MEN1RCE1

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