SCHEMBL7829360

SCHEMBL7829360

COc1ccc(NC(=O)C(C)(O)C(F)(F)F)c2c1OCc1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 14/20 0.52
PDK2 Q15119 14/20 0.52
PDK3 Q15120 14/20 0.52
PDK4 Q16654 14/20 0.52
ABCC9 O60706 3/20 0.47
ABCC8 Q09428 3/20 0.47
KCNJ11 Q14654 3/20 0.47
KCNJ8 Q15842 3/20 0.47
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7835352 0.87 PDK1 (0.49) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833256 0.84 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7821294 0.83 PDK1 (0.45) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7831455 0.82 PDK1 (0.49) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8796551 0.82 PDK1 (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8796630 0.77 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL10558018 0.76 MAPT (0.56) NPC1LMNAGAASMN1; SMN2NPSR1
SCHEMBL7833602 0.75 PDK1 (0.53) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7830325 0.74 PDK1 (0.50) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833552 0.74 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9

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
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed