SCHEMBL7829630

SCHEMBL7829630

CC(O)(C(=O)Nc1cccc2c1-c1ccccc1C2=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 17/20 0.59
PDK2 Q15119 17/20 0.59
PDK3 Q15120 17/20 0.59
PDK4 Q16654 17/20 0.59
MAOA P21397 1/20 0.54
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CDK4 P11802 1/20 0.48
CCND2 P30279 1/20 0.48

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
SCHEMBL7832614 0.89 PDK1 (0.59) PDK1PDK2PDK3PDK4MAOA
SCHEMBL7833602 0.81 PDK1 (0.53) PDK1PDK2PDK3PDK4
SCHEMBL13129732 0.80 MAOA (0.55) MAOACYP1A2HSD17B10CDK4CCND2
SCHEMBL7821084 0.78 PDK1 (0.61) PDK1PDK2PDK3PDK4
SCHEMBL7831455 0.78 PDK1 (0.49) PDK1PDK2PDK3PDK4
SCHEMBL27529524 0.77 PDK1 (0.66) PDK1PDK2PDK3PDK4
SCHEMBL7832297 0.77 PDK1 (0.60) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL7835701 0.77 PDK1 (0.48) PDK1PDK2PDK3PDK4
SCHEMBL5051010 0.76 MAOA (0.87) MAOACYP1A2HSD17B10CDK4CCND2
SCHEMBL5765706 0.76 PDK1 (0.47) PDK1PDK2PDK3PDK4

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 3 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
US-5726325-A FOR TREATING URINARY INCONTINENCE KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-10 US disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed