SCHEMBL4066331

SCHEMBL4066331

Cc1cn2cccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GRM5 P41594 3/20 0.32
ADORA3 P0DMS8 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4066336 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4062015 0.85 HTR4 (0.37) ADORA3
SCHEMBL4062013 0.85 HTR4 (0.37) ADORA3
SCHEMBL4061316 0.84
SCHEMBL4061530 0.83 ALDH1A3 (0.45) ADORA3KDM4EHPGDHSD17B10
SCHEMBL4061527 0.83 ALDH1A3 (0.45) ADORA3KDM4EHPGDHSD17B10
SCHEMBL4059918 0.81 ADORA3 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4059922 0.81 ADORA3 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4059511 0.80
SCHEMBL4066428 0.80 SSTR4 (0.36) ADORA3

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
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed