SCHEMBL7832297

SCHEMBL7832297

CC(O)(C(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 14/20 0.60
PDK2 Q15119 14/20 0.60
PDK3 Q15120 14/20 0.60
PDK4 Q16654 14/20 0.60
CYP1A2 P05177 1/20 0.55
ABCC9 O60706 5/20 0.47
ABCC8 Q09428 5/20 0.47
KCNJ11 Q14654 5/20 0.47
KCNJ8 Q15842 5/20 0.47

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
SCHEMBL7821084 0.86 PDK1 (0.61) PDK1PDK2PDK3PDK4
SCHEMBL7833541 0.80 LCK (0.68) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL7832380 0.80 ABCC9 (0.67) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL7829630 0.77 PDK1 (0.59) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL7832614 0.77 PDK1 (0.59) PDK1PDK2PDK3PDK4
SCHEMBL27823260 0.76 CYP1A2 (0.60) CYP1A2
SCHEMBL6347970 0.76 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7931365 0.73 CYP1A2 (0.61) CYP1A2
SCHEMBL7821425 0.72 ABCC9 (0.53) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL6348593 0.72 PDK1 (0.67) 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 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