SCHEMBL7821084

SCHEMBL7821084

CC(O)(C(=O)Nc1cc2c(cc1Cl)-c1ccccc1C2=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 18/20 0.61
PDK2 Q15119 18/20 0.61
PDK3 Q15120 18/20 0.61
PDK4 Q16654 18/20 0.61
NR1H2 P55055 2/20 0.53
NR1H3 Q13133 2/20 0.53

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
SCHEMBL7832297 0.86 PDK1 (0.60) PDK1PDK2PDK3PDK4
SCHEMBL7833541 0.81 LCK (0.68) PDK1PDK2PDK3PDK4
SCHEMBL7832380 0.81 ABCC9 (0.67) PDK1PDK2PDK3PDK4
SCHEMBL7832614 0.78 PDK1 (0.59) PDK1PDK2PDK3PDK4
SCHEMBL7829630 0.78 PDK1 (0.59) PDK1PDK2PDK3PDK4
SCHEMBL6348877 0.77 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL5735974 0.77 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL27529530 0.76 PDK1 (0.63) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL27553215 0.74 PDK1 (0.70) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL27553216 0.74 PDK1 (0.70) PDK1PDK2PDK3PDK4NR1H2

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