SCHEMBL9947699

SCHEMBL9947699

C#Cc1c(C)c(C(=O)O)c(C)n(-c2cccc([Si](C)(C)C)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MYC P01106 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
ALOX15 P16050 1/20 0.34
NR4A1 P22736 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 7/20 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
SCHEMBL2014199 0.84 GAA (0.44) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL9947695 0.72 GAA (0.43) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL9947711 0.71 KDM4E (0.54) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL2035472 0.67 GAA (0.50) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL11454421 0.67 NOTUM (0.53) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL9947824 0.67 GAA (0.47) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL9948181 0.65 GAA (0.48) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL9947652 0.64 GAA (0.47) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL1717554 0.63 NOTUM (0.52) GAAGFERKDM4EL3MBTL1MAPT
SCHEMBL11793628 0.62 GAA (0.54) GAAGFERKDM4EL3MBTL1MAPT

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
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed