SCHEMBL718678

SCHEMBL718678

CC#Cc1ccccc1N1C(=O)C=CC1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.57
MGLL Q99685 14/20 0.53
FAAH O00519 4/20 0.53
HSP90AA1 P07900 3/20 0.41
CCR6 P51684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIN1 Q13526 1/20 0.37

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
SCHEMBL3771981 0.79 TLR9 (0.64) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL508395 0.79 TLR9 (0.64) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL29510552 0.79 TLR9 (0.64) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL717690 0.77 TLR9 (0.61) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL29377102 0.75 TLR9 (1.00) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL121404 0.75 TLR9 (1.00) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL15479132 0.71 KDM4E (0.43) ALDH1A1
SCHEMBL137793 0.70 MGLL (1.00) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL29366282 0.70 MGLL (1.00) TLR9MGLLFAAHHSP90AA1CCR6
SCHEMBL6364807 0.70 CYP1A2 (0.46) ALDH1A1

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-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed