SCHEMBL9255945

SCHEMBL9255945

CN([C]=O)CC(=O)NCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11240294 0.73
SCHEMBL15068246 0.72 TSHR (0.47) GAAALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL841327 0.70 MEN1 (0.48) LMNAPOLBKDM4EL3MBTL1GAA
SCHEMBL16857037 0.69 KDM4E (0.41) LMNAPOLBKDM4EL3MBTL1GAA
SCHEMBL17630129 0.68 CTSK (0.43) LMNAL3MBTL1CTSKALDH1A1MAPK1
SCHEMBL15271725 0.68 LMNA (0.39) LMNAPOLBKDM4EL3MBTL1GAA
SCHEMBL5146605 0.68 LMNA (0.39) LMNAPOLBKDM4EL3MBTL1GAA
SCHEMBL31121771 0.68 LMNA (0.39) LMNAPOLBKDM4EL3MBTL1GAA
SCHEMBL1515366 0.67 HPGD (0.46) LMNAPOLBKDM4EL3MBTL1GAA
SCHEMBL678153 0.67 LMNA (0.40) LMNAPOLBKDM4EL3MBTL1GAA

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-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed