SCHEMBL4550728

SCHEMBL4550728

O=C(NCc1ccc(OCC(F)F)nc1O)c1ccnc(NC(=O)C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.45
GSK3A P49840 13/20 0.45
MAPT P10636 7/20 0.43

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
SCHEMBL2714797 0.90 GSK3B (0.46) GSK3BGSK3AMAPT
SCHEMBL2715626 0.89 GSK3B (0.47) GSK3BGSK3AMAPT
SCHEMBL4550726 0.88 MAPT (0.46) GSK3BMAPT
SCHEMBL2717064 0.82 GSK3B (0.48) GSK3BGSK3AMAPT
SCHEMBL2714553 0.82 GSK3B (0.48) GSK3BGSK3AMAPT
SCHEMBL2717854 0.79 GSK3B (0.47) GSK3BGSK3AMAPT
SCHEMBL2715922 0.79 CCR3 (0.38) GSK3BMAPT
SCHEMBL2716039 0.79 MAPT (0.44) GSK3BMAPT
SCHEMBL2715586 0.78 MAPT (0.56) GSK3BMAPT
SCHEMBL2716977 0.78 GSK3B (0.50) GSK3BGSK3AMAPT

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
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed