SCHEMBL9178137

SCHEMBL9178137

CN(C)C(=O)c1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
GRIK1 P39086 1/20 0.45
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MPO P05164 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 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
SCHEMBL8553107 0.84 GRIK1 (0.60) L3MBTL1PDK1PDK2PDK3PDK4
Trifluoroacetic Acid SCHEMBL10614768 0.82 GRIK1 (0.58) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL18784583 0.81 PDK1 (0.57) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL3251744 0.80 KMT2A (0.62) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL9181962 0.79 MAPT (0.38) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL2090148 0.78 ALDH1A1 (0.69) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL7299760 0.78 MEN1 (0.59) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL28960367 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL1817100 0.77 PDK1 (0.76) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL16045437 0.77 L3MBTL1 (0.60) L3MBTL1ALDH1A1HTTHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468683-B1 Fungicidal acylamidobenzamides ZENECA LTD (GB) 1995-06-14 EP disclosed
EP-0468683-A1 Fungicidal acylamidobenzamides ZENECA LIMITED (GB) 1992-01-29 EP disclosed