SCHEMBL3640947

SCHEMBL3640947

COc1ccc(Br)cc1-c1csc(Nc2ccc(-c3ncc[nH]3)c(OC)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.62
PSEN2 P49810 3/20 0.62
APH1B Q8WW43 3/20 0.62
NCSTN Q92542 3/20 0.62
APH1A Q96BI3 3/20 0.62
PSENEN Q9NZ42 3/20 0.62
CYP3A4 P08684 2/20 0.62
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
VCP P55072 1/20 0.47
ALOX5 P09917 1/20 0.47
CSNK2A1 P68400 2/20 0.44
PTGS2 P35354 1/20 0.44
IMPDH2 P12268 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3633219 0.86 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7968301 0.79 ALOX5 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3632745 0.77 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039563 0.77 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1038192 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039178 0.76 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3637592 0.75 CSNK2A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12297196 0.75 MAPT (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1038783 0.74 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12298270 0.73 CSNK2A1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP claimed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO claimed
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed