SCHEMBL6022882

SCHEMBL6022882

CNC(=O)C(CNC(=O)c1ccc(OC)cc1)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 1/20 0.43
SCD O00767 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL4588060 0.89 KMT2A (0.57) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL5200663 0.88 KMT2A (0.53) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL4589375 0.82 LMNA (0.53) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL4589321 0.80 POLB (0.52) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL784099 0.78 NPSR1 (0.49) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL20333225 0.74 MAPK1 (0.56) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL4589611 0.72 KMT2A (0.49) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL5177351 0.72 KMT2A (0.45) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL20333222 0.69 KMT2A (0.45) KMT2AMEN1POLBMAPK1SMN1; SMN2
SCHEMBL6496601 0.69 KMT2A (0.48) KMT2AMEN1POLBMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720865-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-11-15 EP disclosed
WO-2005085238-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-09-15 WO disclosed
EP-1531673-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2005-05-25 EP disclosed
WO-2004016088-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2004-02-26 WO disclosed