SCHEMBL3639360

SCHEMBL3639360

COc1cc(Nc2ncc(C(O)c3ccc(Cl)cc3)s2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.64
PSEN2 P49810 5/20 0.64
APH1B Q8WW43 5/20 0.64
NCSTN Q92542 5/20 0.64
APH1A Q96BI3 5/20 0.64
PSENEN Q9NZ42 5/20 0.64
ALOX5 P09917 1/20 0.39
KDR P35968 1/20 0.37
KIT P10721 1/20 0.36
PLK1 P53350 1/20 0.35
IMPDH2 P12268 1/20 0.35
MAPT P10636 4/20 0.33
CYP17A1 P05093 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
CSF1R P07333 1/20 0.33
TNF P01375 1/20 0.33
SCD O00767 1/20 0.33

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
SCHEMBL3640777 0.91 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1040968 0.78 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3638880 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3635139 0.75 ALOX5 (0.69) ALOX5IMPDH2MAPT
SCHEMBL3633289 0.75 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3634899 0.74 LMNA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3410239 0.73 KDR (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3634132 0.73 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3632755 0.73 ALOX5 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3640612 0.73 AMY1A (0.54) 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