SCHEMBL3663840

SCHEMBL3663840

COc1cc(Nc2ncc3c(n2)C(c2ccccc2)CCC3)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.50
PSEN2 P49810 14/20 0.50
APH1B Q8WW43 14/20 0.50
NCSTN Q92542 14/20 0.50
APH1A Q96BI3 14/20 0.50
PSENEN Q9NZ42 14/20 0.50
UGT1A1 P22309 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
KDR P35968 1/20 0.39
PLK1 P53350 3/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL3662460 0.92 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3659216 0.92 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661496 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661349 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3664169 0.89 PLK1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3666797 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3662338 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3665907 0.86 PLK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657821 0.86 PLK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3665153 0.86 PSEN1 (0.39) 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-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed