SCHEMBL3633741

SCHEMBL3633741

COc1cc(Nc2nc(C[C@@H](C)CCNS(C)(=O)=O)cs2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.37
CYP3A4 P08684 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
IMPDH2 P12268 1/20 0.33
CSNK2A1 P68400 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL3634963 0.90 MAPT (0.40) PLA2G7MAPTMEN1KMT2AMAPK1
SCHEMBL3636545 0.85 PLA2G7 (0.37) PLA2G7CYP3A4PSEN1PSEN2APH1B
SCHEMBL3636644 0.85 PLA2G7 (0.37) PLA2G7CYP3A4PSEN1PSEN2APH1B
SCHEMBL3632982 0.84 PLA2G7 (0.38) PLA2G7CYP3A4MAPTMEN1KMT2A
SCHEMBL3634246 0.83 PLA2G7 (0.36) PLA2G7CYP3A4PSEN1PSEN2APH1B
SCHEMBL3633324 0.83 CCNT1 (0.41) PLA2G7MAPTMEN1KMT2ANPC1
SCHEMBL3637440 0.82 TP53 (0.40) PLA2G7MAPTMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL3635538 0.80 PLA2G7 (0.37) PLA2G7CYP3A4PSEN1PSEN2APH1B
SCHEMBL3637441 0.78 PLA2G7 (0.39) PLA2G7CYP3A4PSEN1PSEN2APH1B
SCHEMBL3636568 0.76 PLA2G7 (0.34) PLA2G7CYP3A4PSEN1PSEN2APH1B

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