SCHEMBL3409746

SCHEMBL3409746

COc1cc(Nc2cc(C(F)(F)F)cc(Nc3cccc(C(F)(F)F)c3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.42
SLC2A1 P11166 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
STK10 O94804 1/20 0.42
SLK Q9H2G2 1/20 0.42
APP P05067 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL3413181 0.95 TP53 (0.48) TP53MAPTLMNATHRBMAPK1
SCHEMBL3404331 0.91 ABCB1 (0.41) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL3410953 0.90 ABCB1 (0.44) TP53MAPTPSEN1PSEN2APH1B
SCHEMBL3410067 0.90 IGF1R (0.47) TP53MAPTPSEN1PSEN2APH1B
SCHEMBL3404327 0.88 DHODH (0.43) TP53MAPTLMNATHRBMAPK1
SCHEMBL3412202 0.88 MAPT (0.42) TP53MAPTPSEN1PSEN2APH1B
SCHEMBL3404287 0.87 GALR2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3406368 0.83 BRAF (0.52) TP53MAPTLMNAMAPK1ABCG2
SCHEMBL3410452 0.82 BRAF (0.44) TP53MAPTABCG2ABCB1ABCC1
SCHEMBL3408722 0.82 IGF1R (0.52) MAPTMAPK1PSEN1PSEN2APH1B

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