SCHEMBL723972

SCHEMBL723972

O=C1C=CC(=O)N1c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.89
MGLL Q99685 16/20 0.57
FAAH O00519 8/20 0.57
PKM P14618 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10411648 1.00 HSP90AA1 (0.89) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL719070 1.00 HSP90AA1 (0.89) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL2146237 0.94 HSP90AA1 (1.00) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL29510752 0.94 HSP90AA1 (1.00) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL19512050 0.89 HSP90AA1 (0.83) HSP90AA1MGLLFAAHPKMMAPK1
SCHEMBL2928275 0.87 HSP90AA1 (0.80) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL29405415 0.75 HSP90AA1 (0.70) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL22862175 0.74 HSP90AA1 (0.59) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL31179941 0.74 HSP90AA1 (0.61) HSP90AA1MGLLFAAHPKMALDH1A1
SCHEMBL31179946 0.74 HSP90AA1 (0.61) HSP90AA1MGLLFAAHPKMALDH1A1

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