SCHEMBL9540309

SCHEMBL9540309

COc1cc([Si](C)(C)C)c(C(N)=O)c(C)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HK2 P52789 1/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.38
DHODH Q02127 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL9540301 0.72 IKBKB (0.46) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL529975 0.72 FABP3 (0.49) MEN1KMT2ALMNAHSD17B10KDM4E
SCHEMBL28357204 0.71 GAA (0.49) GAAMEN1KMT2ALMNAHSD17B10
SCHEMBL16487054 0.71 KMT2A (0.41) GAAMEN1KMT2AHK2LMNA
SCHEMBL9540295 0.69 IKBKB (0.46) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL17292696 0.69 MEN1 (0.52) GAAMEN1KMT2ALMNAHSD17B10
SCHEMBL31653573 0.69 FABP4 (0.46) MEN1KMT2ALMNAHSD17B10KDM4E
SCHEMBL20547045 0.69 PDE4B (0.49) GAAMEN1KMT2ALMNAHSD17B10
SCHEMBL529977 0.69 FABP4 (0.46) MEN1KMT2ALMNAHSD17B10KDM4E
SCHEMBL18740829 0.69 GAA (0.46) GAAMEN1KMT2ALMNAHSD17B10

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-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed