SCHEMBL14337671

SCHEMBL14337671

COc1ccc(C2CCOCC2)c2sc(NC(C)=O)nc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
DYRK1A Q13627 1/20 0.54
ADORA2A P29274 9/20 0.52
ADORA1 P30542 9/20 0.52
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CHRM4 P08173 2/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49
ADORA2B P29275 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.46
RCE1 Q9Y256 1/20 0.46

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
SCHEMBL6179672 0.91 ALDH1A1 (0.57) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5365518 0.86 ALDH1A1 (0.52) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL6180606 0.86 KMT2A (0.55) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL24349660 0.86 ADORA2A (0.67) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5035895 0.86 ALDH1A1 (0.52) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL6181461 0.86 CHRM4 (0.64) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL5036082 0.86 ALDH1A1 (0.51) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL6178167 0.85 ADORA2A (0.62) MAPTADORA2AADORA1ADORA2BMEN1
SCHEMBL5375700 0.85 ALDH1A1 (0.50) ALDH1A1MAPTTSHRHSD17B10ADORA2A
SCHEMBL6181351 0.85 ADORA2A (0.53) ALDH1A1MAPTTSHRHSD17B10ADORA2A

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-7304058-B2 For therapy of Alzheimer's disease, depression HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed