SCHEMBL3636151

SCHEMBL3636151

CCCCNC(=O)Cc1csc(Nc2ccc(-c3nc(C)c[nH]3)c(OC)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
UBE2N P61088 1/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3634147 0.85 MAPT (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1040135 0.84 MAPT (0.46) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL3637440 0.81 TP53 (0.40) MAPTGAAMEN1KMT2ALMNA
SCHEMBL3636644 0.80 PLA2G7 (0.37) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL1040769 0.80 PSEN1 (0.54) CYP3A4
SCHEMBL3634246 0.79 PLA2G7 (0.36) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL2324136 0.78 NPSR1 (0.55) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL2331462 0.78 CSNK2A1 (0.50) MAPTGAAMEN1KMT2ALMNA
SCHEMBL3636545 0.77 PLA2G7 (0.37) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL3632982 0.76 PLA2G7 (0.38) MAPTGAAMEN1KMT2ACYP1A2

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