SCHEMBL3249122

SCHEMBL3249122

COc1cc(C2(c3cccc(OCCCF)c3)N=Cc3ncccc32)ccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
F2 P00734 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
CTSD P07339 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL3236639 0.84 BACE1 (0.35) BACE1ALOX15TSHRMAPK1HSD17B10
SCHEMBL3243763 0.81 BACE1 (0.47) BACE1KCNH2ALOX15TSHRMAPK1
SCHEMBL3243768 0.76 BACE1 (0.33) BACE1KCNH2ALOX15TSHRMAPK1
SCHEMBL3242719 0.70 BACE1 (0.46) BACE1KCNH2CTSDBACE2
SCHEMBL3245518 0.69 BACE1 (0.39) BACE1KCNH2CTSDBACE2
SCHEMBL3240556 0.67 BACE1 (0.44) BACE1KCNH2CTSDBACE2
SCHEMBL3245127 0.67 BACE1 (0.39) BACE1KCNH2ALOX15TSHRMAPK1
SCHEMBL3243716 0.66 BACE1 (0.40) BACE1KCNH2MEN1KMT2AMAPT
SCHEMBL3239135 0.65 BACE1 (0.47) BACE1KCNH2LOXLOXL2CTSD
SCHEMBL3242727 0.65 BACE1 (0.37) BACE1

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-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed