SCHEMBL3406520

SCHEMBL3406520

O=CNC1=Cc2cccc3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
MCL1 Q07820 1/20 0.41
S100A4 P26447 1/20 0.39
PABPC1 P11940 4/20 0.38
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
DNMT1 P26358 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 4/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYMS P04818 4/20 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
SCHEMBL6540748 0.79 MAPK1 (0.50) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL8712256 0.75 MAPK1 (0.47) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL3124182 0.75 MEN1 (0.51) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL8102467 0.74 CDC25B (0.42) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL778670 0.74 MAPK1 (0.46) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL548612 0.73 MAPK1 (0.53) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL3406240 0.72 MAPT (0.45) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL23300524 0.71 MAPT (0.50) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL6154836 0.71 MAPK1 (0.43) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL779664 0.69 MEN1 (0.49) MEN1KMT2AMAPK1MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed