SCHEMBL3636644

SCHEMBL3636644

COCC(=O)NCC[C@H](C)Cc1csc(Nc2ccc(-c3nc(C)c[nH]3)c(OC)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CSNK2A1 P68400 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP3A4 P08684 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 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
SCHEMBL3634246 0.90 PLA2G7 (0.36) PLA2G7MAPTALDH1A1GAANPC1
SCHEMBL3636545 0.89 PLA2G7 (0.37) PLA2G7MAPTALDH1A1GAANPC1
SCHEMBL3637440 0.89 TP53 (0.40) PLA2G7MAPTALDH1A1GAANPC1
SCHEMBL3632982 0.88 PLA2G7 (0.38) PLA2G7MAPTALDH1A1GAANPC1
SCHEMBL3633324 0.87 CCNT1 (0.41) PLA2G7MAPTALDH1A1NPC1RAB9A
SCHEMBL3633741 0.85 PLA2G7 (0.37) PLA2G7MAPTALDH1A1GAANPC1
SCHEMBL3634963 0.81 MAPT (0.40) PLA2G7MAPTALDH1A1GAALMNA
SCHEMBL3636151 0.80 MAPT (0.41) MAPTALDH1A1GAANPC1RAB9A
Hydrochloric Acid SCHEMBL3635538 0.78 PLA2G7 (0.37) PLA2G7MAPTALDH1A1GAANPC1
SCHEMBL1040135 0.78 MAPT (0.46) MAPTALDH1A1GAARAB9ALMNA

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