SCHEMBL3634246

SCHEMBL3634246

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.36
MAPT P10636 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
UBE2N P61088 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PSEN1 P49768 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
SCHEMBL3636644 0.90 PLA2G7 (0.37) PLA2G7MAPTMEN1KMT2ACYP1A2
SCHEMBL3636545 0.89 PLA2G7 (0.37) PLA2G7MAPTMEN1KMT2ACYP1A2
SCHEMBL3637440 0.89 TP53 (0.40) PLA2G7MAPTMEN1KMT2ALMNA
SCHEMBL3632982 0.88 PLA2G7 (0.38) PLA2G7MAPTMEN1KMT2ACYP1A2
SCHEMBL3633324 0.87 CCNT1 (0.41) PLA2G7MAPTMEN1KMT2AALDH1A1
SCHEMBL3633741 0.83 PLA2G7 (0.37) PLA2G7MAPTMEN1KMT2ACYP3A4
SCHEMBL3634963 0.81 MAPT (0.40) PLA2G7MAPTMEN1KMT2ALMNA
SCHEMBL3636151 0.79 MAPT (0.41) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1040135 0.78 MAPT (0.46) MAPTMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3635538 0.77 PLA2G7 (0.37) PLA2G7MAPTMEN1KMT2ACYP3A4

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