SCHEMBL3411256

SCHEMBL3411256

COc1cc(Nc2cc(Cc3ccccc3)nc(Cl)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.40
ABCC1 P33527 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SLC2A1 P11166 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
IMPDH2 P12268 4/20 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
SCHEMBL3407207 0.86 PSEN1 (0.43) ABCB1ABCC1ABCG2PSEN1PSEN2
SCHEMBL3408093 0.85 PSEN1 (0.44) ABCB1ABCC1ABCG2PSEN1PSEN2
SCHEMBL3411154 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412595 0.79 MAPT (0.41) ABCB1ABCC1ABCG2MAPTPOLB
SCHEMBL3410452 0.79 BRAF (0.44) ABCB1ABCC1ABCG2MAPTPOLB
SCHEMBL3412879 0.79 MAPT (0.42) ABCB1ABCC1ABCG2MAPTPOLB
SCHEMBL2329340 0.77 IMPDH2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3634899 0.77 LMNA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3413413 0.77 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3410466 0.76 PSEN1 (0.43) 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