SCHEMBL6766683

SCHEMBL6766683

CC1=C(C)N(CC(=O)c2cccs2)CS1.Cc1c(CCO)sc[n+]1CC(=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TSHR P16473 1/20 0.35
TKT P29401 7/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5070440 0.85 TKT (0.44) ALDH1A1MAPTMEN1KMT2APLA2G1B
Bromide SCHEMBL3846652 0.84 OPRM1 (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL5015366 0.81 ALDH1A1 (0.53) ALDH1A1HTTMAPTMEN1KMT2A
Bromide SCHEMBL3846487 0.80 HTT (0.53) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL5070441 0.76 ALDH1A1 (0.48) ALDH1A1HTTL3MBTL1MAPTMEN1
Bromide SCHEMBL3852034 0.75 OPRM1 (0.42) ALDH1A1HTTL3MBTL1MAPTMEN1
Bromide SCHEMBL3846651 0.75 HTT (0.48) ALDH1A1HTTL3MBTL1MAPTMEN1
Bromide SCHEMBL5015370 0.74 KMT2A (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
Bromide SCHEMBL3852040 0.70 HTT (0.45) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL5015364 0.69 KMT2A (0.56) ALDH1A1HTTL3MBTL1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US claimed