SCHEMBL3408093

SCHEMBL3408093

COc1cc(Nc2nc(C)cc(Cc3ccccc3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IMPDH2 P12268 11/20 0.40
DOT1L Q8TEK3 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.38
SLC2A1 P11166 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP2 P50579 1/20 0.38
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL3411154 0.89 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3406232 0.86 NPC1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412713 0.86 LMNA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3410260 0.85 NPC1 (0.53) NPC1RAB9AIMPDH2DOT1LKCNH2
SCHEMBL3411256 0.85 ABCB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3409949 0.83 IMPDH2 (0.51) NPC1RAB9AIMPDH2DOT1LKCNH2
SCHEMBL3408338 0.82 NPC1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3407955 0.82 NPC1 (0.51) NPC1RAB9AIMPDH2DOT1LKCNH2
SCHEMBL3413207 0.82 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3407257 0.82 PSEN1 (0.49) 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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed