SCHEMBL5453516

SCHEMBL5453516

COc1cc(N)ccc1OCCC[Si](C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 4/20 0.58
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
PRSS1 P07477 4/20 0.45
ALDH1A1 P00352 5/20 0.42
USP2 O75604 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
FDPS P14324 2/20 0.41
NR4A1 P22736 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41

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
SCHEMBL2170859 0.83 KDM4E (0.54) GAAMAPTKDM4EHTTMAPK1
SCHEMBL10188105 0.81 GAA (0.69) GAAMAPTKDM4EHTTMAPK1
SCHEMBL11703261 0.80 GAA (0.62) GAAMAPTKDM4EHTTMAPK1
SCHEMBL30336546 0.80 GAA (0.67) GAAMAPTKDM4EHTTMAPK1
SCHEMBL25193781 0.80 GAA (0.67) GAAMAPTKDM4EHTTMAPK1
SCHEMBL10187277 0.80 MAPT (0.66) GAAMAPTKDM4EHTTMAPK1
SCHEMBL10187284 0.80 GAA (0.71) GAAMAPTKDM4EHTTMAPK1
SCHEMBL11341850 0.79 GAA (0.65) GAAMAPTKDM4EHTTMAPK1
SCHEMBL7920252 0.79 GAA (0.65) GAAMAPTKDM4EHTTMAPK1
SCHEMBL7906785 0.79 GAA (0.65) GAAMAPTKDM4EHTTMAPK1

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
WO-2007061966-A2 AMIDINYLPHENYL COMPOUNDS AND THEIR USE AS FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-31 WO disclosed