SCHEMBL6936500

SCHEMBL6936500

CC1=CN(CC(=O)c2ccccc2)CS1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CES1 P23141 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39

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 SCHEMBL3963512 0.98 GSK3A (0.43) GSK3AGSK3BMEN1KMT2AALDH1A1
SCHEMBL6938267 0.85 ALDH1A1 (0.46) GSK3BKMT2AALDH1A1RAB9AMAPT
Bromide SCHEMBL2945063 0.84 ALDH1A1 (0.45) GSK3BKMT2AALDH1A1NPC1RAB9A
Bromide SCHEMBL4078658 0.80 ALDH1A1 (0.42) GSK3BKMT2AALDH1A1NPC1RAB9A
SCHEMBL1820216 0.72 ALDH1A1 (0.46) GSK3AGSK3BMEN1KMT2AALDH1A1
SCHEMBL2920557 0.71 ALDH1A1 (0.44) GSK3AGSK3BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL33828 0.71 RAB9A (0.46) GSK3AGSK3BMEN1KMT2AALDH1A1
Bromide SCHEMBL2954276 0.71 ALDH1A1 (0.48) GSK3AGSK3BMEN1KMT2AALDH1A1
Bromide SCHEMBL122634 0.70 ALDH1A1 (0.43) GSK3AGSK3BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4019649 0.70 ALDH1A1 (0.43) GSK3AGSK3BMEN1KMT2AALDH1A1

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
US-RE38330-E1 Preventing and reversing advanced glycosylation endproducts ALTEON INC. 2003-11-25 US claimed
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 disclosed