SCHEMBL3636972

SCHEMBL3636972

COc1cc(Nc2nc3c(s2)CN(CCc2ccccc2)CC3)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.40
PSEN2 P49810 7/20 0.40
APH1B Q8WW43 7/20 0.40
NCSTN Q92542 7/20 0.40
APH1A Q96BI3 7/20 0.40
PSENEN Q9NZ42 7/20 0.40
ALOX15 P16050 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ABCB1 P08183 5/20 0.39
ABCG2 Q9UNQ0 5/20 0.39
GAA P10253 5/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 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
SCHEMBL3634100 0.85 KMT2A (0.40) ALOX15ABCB1GAAALDH1A1RAB9A
SCHEMBL3633453 0.84 NPC1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039127 0.81 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3638385 0.80 NPC1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3639468 0.79 RAB9A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3638175 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3636154 0.77 GRAMD1A (0.50) MAPT
SCHEMBL3634269 0.77 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1040464 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3642038 0.76 MKNK1 (0.41) 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-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