SCHEMBL6936032

SCHEMBL6936032

O=C(C[n+]1ccsc1)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
PABPC1 P11940 1/20 0.59
USP2 O75604 1/20 0.50
GSK3B P49841 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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 SCHEMBL3849524 0.98 ALDH1A1 (0.72) ALDH1A1PABPC1USP2GSK3BMEN1
SCHEMBL14008410 0.84 ALDH1A1 (0.69) ALDH1A1PABPC1MEN1KMT2AKDM4E
SCHEMBL7074123 0.84 ALDH1A1 (0.69) ALDH1A1PABPC1MEN1KMT2AKDM4E
SCHEMBL6935140 0.84 ALDH1A1 (0.69) ALDH1A1PABPC1GSK3BMEN1KMT2A
SCHEMBL1444452 0.83 ALDH1A1 (0.97) ALDH1A1PABPC1MEN1KMT2AKDM4E
Bromide SCHEMBL3847335 0.83 ALDH1A1 (0.72) ALDH1A1PABPC1MEN1KMT2AKDM4E
Bromide SCHEMBL4939883 0.83 ALDH1A1 (0.72) ALDH1A1PABPC1USP2MEN1KMT2A
Bromide SCHEMBL2947796 0.83 ALDH1A1 (0.72) ALDH1A1PABPC1GSK3BMEN1KMT2A
Hydrochloric Acid SCHEMBL2776368 0.82 ALDH1A1 (0.94) ALDH1A1PABPC1MEN1KMT2AKDM4E
Bromide SCHEMBL122633 0.82 ALDH1A1 (1.00) ALDH1A1PABPC1MEN1KMT2AKDM4E

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 3 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