SCHEMBL6314811

SCHEMBL6314811

Cc1ccc(C)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
RAB9A P51151 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL17666342 0.86 MEN1 (0.61) GAAPDK1PDK2PDK3PDK4
SCHEMBL8549209 0.84 KCNMA1 (0.56) GAAPDK1PDK2PDK3PDK4
SCHEMBL9824176 0.84 TSHR (0.47) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL14515393 0.84 ALDH1A1 (0.52) GAAPDK1PDK2PDK3PDK4
SCHEMBL2979786 0.84 CYP1A2 (0.55) GAAHDAC1HDAC7HDAC8HDAC6
SCHEMBL25236842 0.83 PDK1 (0.49) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL22164080 0.83 PDK1 (0.49) GAAPDK1PDK2PDK3PDK4
SCHEMBL22167747 0.83 PDK1 (0.49) GAAPDK1PDK2PDK3PDK4
SCHEMBL3543982 0.83 ALDH1A1 (0.43) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL3251775 0.83 PDK1 (0.43) GAAPDK1PDK2PDK3PDK4

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
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed