SCHEMBL6029980

SCHEMBL6029980

Cc1cccc(NC(=O)C(F)(F)F)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
HSD17B10 Q99714 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 3/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 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

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
SCHEMBL914296 0.85 PDK1 (0.70) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL8403273 0.84 HTT (0.48) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL6367216 0.84 SMN1; SMN2 (0.56) PDK1PDK2PDK3PDK4NPC1
Hydrochloric Acid SCHEMBL28203570 0.84 PDK1 (0.68) PDK1PDK2PDK3PDK4HSD17B10
SCHEMBL6356221 0.83 PDK1 (0.77) PDK1PDK2PDK3PDK4
SCHEMBL23885453 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4NPC1
SCHEMBL30254224 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4NPC1
SCHEMBL994038 0.83 PDK1 (0.53) PDK1PDK2PDK3PDK4NPC1
SCHEMBL9607570 0.80 PDK1 (0.48) PDK1PDK2PDK3PDK4NPC1
SCHEMBL26467701 0.80 PDK1 (0.48) PDK1PDK2PDK3PDK4NPC1

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-7008940-B1 Dihydrobenzofuran derivatives, process for the preparing thereof and agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-07 US disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed
EP-1213290-A1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed