SCHEMBL723971

SCHEMBL723971

O=C1C=CC(=O)N1c1cccc2cc3cc4cc5ccccc5cc4cc3cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.55
HSP90AA1 P07900 3/20 0.49
MGLL Q99685 13/20 0.47
FAAH O00519 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.40
PKM P14618 3/20 0.40
ATM Q13315 2/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL719069 1.00 TLR9 (0.55) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL31387987 0.98 TLR9 (0.57) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL719837 0.98 TLR9 (0.57) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL152339 0.81 TLR9 (0.64) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL29386767 0.81 TLR9 (0.64) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL19511616 0.78 TLR9 (0.65) TLR9HSP90AA1MGLLFAAHALDH1A1
SCHEMBL4072228 0.78 TLR9 (0.50) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL30497722 0.78 TLR9 (0.50) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL31179946 0.77 HSP90AA1 (0.61) TLR9HSP90AA1MGLLFAAHPOLB
SCHEMBL31179984 0.77 HSP90AA1 (0.61) TLR9HSP90AA1MGLLFAAHPOLB

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 4 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
CN-101489927-B Complexes of carbon nanotubes and fullerences with molecular-clips and use thereof IBM 2013-07-10 CN disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed
CN-101489927-A Complexes of carbon nanotubes and fullerences with molecular-clips and use thereof IBM (US) 2009-07-22 CN disclosed