SCHEMBL11245698

SCHEMBL11245698

Cc1ccccc1NC(=O)C(C)(C)Nc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.61
PDK2 Q15119 1/20 0.61
PDK3 Q15120 1/20 0.61
PDK4 Q16654 1/20 0.61
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
HPGD P15428 5/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.51
ALOX12 P18054 1/20 0.49
HTT P42858 2/20 0.47
EPHX1 P07099 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DDX3X O00571 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46

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
SCHEMBL6824411 0.84 PDK1 (0.59) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL397003 0.83 PDK1 (0.67) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL4406254 0.81 RAB9A (0.52) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL6349201 0.81 PDK1 (0.70) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL8347800 0.80 PDK1 (0.63) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL26623837 0.80 PDK1 (0.73) PDK1PDK2PDK3PDK4RAB9A
Quatacaine SCHEMBL1340190 0.79 PDK1 (0.54) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL29223274 0.79 NPC1 (0.48) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL11173223 0.79 PDK1 (0.61) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL914296 0.78 PDK1 (0.70) PDK1PDK2PDK3PDK4RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310429-A HEAT AND OXIDATION RESISTANT AMINOACETAMIDES THE B. F. GOODRICH COMPANY (US) 1982-01-12 US disclosed
EP-0007182-A1 Stabilized polymers, novel stabilizers and synthesis thereof The B.F. GOODRICH Company (US) 1980-01-23 EP disclosed