SCHEMBL3634963

SCHEMBL3634963

COc1cc(Nc2nc(C[C@@H](C)CCNS(=O)(=O)c3ccc(F)cc3)cs2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
TP53 P04637 5/20 0.40
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 1/20 0.34
PLA2G7 Q13093 1/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3633741 0.90 PLA2G7 (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3633324 0.85 CCNT1 (0.41) MAPTCCNT1CDK9ALDH1A1KMT2A
SCHEMBL3637440 0.84 TP53 (0.40) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL3636545 0.81 PLA2G7 (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3636644 0.81 PLA2G7 (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3634246 0.81 PLA2G7 (0.36) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3632982 0.80 PLA2G7 (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3637441 0.79 PLA2G7 (0.39) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL3636568 0.79 PLA2G7 (0.34) MAPTKMT2AMEN1PLA2G7MAPK1
SCHEMBL1040135 0.78 MAPT (0.46) MAPTALDH1A1KMT2AMEN1LMNA

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