SCHEMBL1040135

SCHEMBL1040135

COc1cc(Nc2nc(CC(=O)Nc3ccc(F)cc3)cs2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX12 P18054 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.42

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 0.84 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3636151 0.84 MAPT (0.41) MAPTMEN1KMT2AALDH1A1ALOX12
SCHEMBL3637440 0.83 TP53 (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3633324 0.81 CCNT1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2329626 0.80 MAPT (0.45) MAPTKMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1041281 0.79 PSEN1 (0.56) CYP3A4
SCHEMBL2331462 0.79 CSNK2A1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3637441 0.78 PLA2G7 (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3636568 0.78 PLA2G7 (0.34) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3636644 0.78 PLA2G7 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 5 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 claimed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO claimed
EP-2155740-B1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-01-26 EP disclosed
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