SCHEMBL3635336

SCHEMBL3635336

COc1cc(Nc2ncc(CNC3CCCCC3)s2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
CYP2D6 P10635 1/20 0.41
GRIN2B Q13224 1/20 0.41
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
METAP2 P50579 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL3638040 0.83 OGA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3633316 0.82 PIK3CD (0.34) GRIN2BPSEN1PSEN2APH1BNCSTN
SCHEMBL3638899 0.82 KIT (0.39) KCNH2GRIN2BPSEN1PSEN2APH1B
SCHEMBL3634899 0.80 LMNA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3636918 0.79 MAP4K1 (0.44) CHEK1
SCHEMBL1038788 0.79 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3638880 0.76 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3408826 0.73 CYP17A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3640777 0.72 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3639468 0.72 RAB9A (0.51) 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 2 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 disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed