SCHEMBL6535503

SCHEMBL6535503

CC1=C(C)N(CC(=O)c2c(O)cccc2O)CS1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.37
ACHE P22303 3/20 0.33
SGMS1 Q86VZ5 3/20 0.33
SGMS2 Q8NHU3 3/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRD1 P41143 2/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL3846303 0.85 MEN1 (0.39) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6535178 0.84 MGAM (0.45) CA12CA1CA2CA7CA9
Bromide SCHEMBL3850340 0.83 MGAM (0.44) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL3845112 0.83 FEN1 (0.39) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6535050 0.79 ALDH1A1 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL1820216 0.79 ALDH1A1 (0.46) CA12CA9ALDH1A1MAPTKMT2A
Bromide SCHEMBL3845053 0.78 ALDH1A1 (0.42) CA12CA1CA2CA9ALDH1A1
Bromide SCHEMBL2954276 0.78 ALDH1A1 (0.48) CA12CA9ALDH1A1MAPTKMT2A
SCHEMBL6535470 0.78 PTPN1 (0.43) ALDH1A1MAPTKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL3850578 0.77 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HTT

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-1257272-A4 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-12-15 EP disclosed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP disclosed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 WO disclosed