SCHEMBL7829638

SCHEMBL7829638

CC(O)(C(=O)Nc1ccc2c(c1)CCc1ccoc1C2=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.48
PDK2 Q15119 9/20 0.48
PDK3 Q15120 9/20 0.48
PDK4 Q16654 9/20 0.48
ABCC9 O60706 11/20 0.45
ABCC8 Q09428 11/20 0.45
KCNJ11 Q14654 11/20 0.45
KCNJ8 Q15842 11/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7835470 0.87 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833294 0.83 NPC1 (0.55) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5765974 0.82 ABCC9 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766571 0.80 ABCC9 (0.53) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833845 0.79 PDK1 (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7830308 0.77 MAPK14 (0.53) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7829732 0.76 ABCC9 (0.58) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7829054 0.76 PDK1 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL7830087 0.74 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7830084 0.73 ABCC9 (0.43) 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 2 patents. 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
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed