SCHEMBL3970792

SCHEMBL3970792

CC1=CN(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CS1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
F2R P25116 10/20 0.44
ALOX5 P09917 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40

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 SCHEMBL3846570 0.99 KMT2A (0.43) KMT2AMEN1F2RALOX5PTGS1
SCHEMBL6938306 0.78 KMT2A (0.46) KMT2AMEN1F2RALOX5PTGS1
Bromide SCHEMBL3848630 0.77 KMT2A (0.45) KMT2AMEN1F2RALOX5PTGS1
SCHEMBL3964631 0.76 KMT2A (0.44) KMT2AMEN1F2RALOX5PTGS1
Bromide SCHEMBL3853603 0.75 KMT2A (0.43) KMT2AMEN1F2RALOX5PTGS1
SCHEMBL3960925 0.74 KMT2A (0.44) KMT2AMEN1F2RALOX5PTGS1
Bromide SCHEMBL3853733 0.73 KMT2A (0.43) KMT2AMEN1F2RALOX5PTGS1
SCHEMBL6932935 0.73 F2R (0.48) KMT2AMEN1F2RALOX5PTGS1
Bromide SCHEMBL3892815 0.72 KMT2A (0.48) KMT2AMEN1F2RALOX5PTGS1
SCHEMBL6937786 0.72 CYP3A4 (0.42) KMT2AMEN1F2RALOX5PTGS1

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 4 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
US-6007865-A FOR INHIBITING AND REVERSING NONENZYMATIC CROSS-LINKING (PROTEIN AGING), TREATING KIDNEY DAMAGE AND TREATING COMPLICATIONS OF DIABETES, PREVENTING FOOD SPOILAGE ALTEON INC. 1999-12-28 US claimed
WO-2009042213-A1 METHODS OF TREATING OR PREVENTING CARDIAC DISEASE ASSOCIATED WITH A HIGH FAT DIET SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 WO disclosed