SCHEMBL2900895

SCHEMBL2900895

O=C1C=CC(=O)N1c1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.73
TLR9 Q9NR96 2/20 0.55
FAAH O00519 3/20 0.50
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 1/20 0.42
PTPRC P08575 1/20 0.42
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
CCR6 P51684 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL9719950 0.91 MGLL (0.88) MGLLTLR9FAAHNR1H2CES1
SCHEMBL3768557 0.85 MGLL (1.00) MGLLTLR9FAAHNR1H2CES1
SCHEMBL30398083 0.85 MGLL (1.00) MGLLTLR9FAAHNR1H2CES1
SCHEMBL6832688 0.80 TLR9 (0.76) MGLLTLR9FAAHCES1ALDH1A1
SCHEMBL28616908 0.78 MGLL (0.73) MGLLTLR9FAAHPTPRCCES1
SCHEMBL8995930 0.78 MGLL (0.72) MGLLTLR9FAAHNR1H2ALDH1A1
SCHEMBL29377102 0.73 TLR9 (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL121404 0.73 TLR9 (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL711003 0.72 MGLL (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL29510698 0.72 MGLL (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1

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-20100160587-A1 THERMOSETTING RESIN COMPOSITION AND OPTICAL MEMBER USING CURED PRODUCT OF THE THERMOSETTING RESIN COMPOSITION HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-06-24 US disclosed
EP-2141203-A1 THERMOSETTING RESIN COMPOSITION AND OPTICAL MEMBER USING CURED PRODUCT OF THE THERMOSETTING RESIN COMPOSITION Hitachi Chemical Company, Ltd. (JP) 2010-01-06 EP disclosed
US-7295376-B2 Pseudo cross-link type resin composition, molding material, sheet or film, and optical element obtained therefrom HITACHI CHEMICAL COMPANY, LTD. (JP) 2007-11-13 US disclosed
US-20030232923-A1 Pseudo cross-link type resin composition, molding material, sheet or film, and optical element obtained therefrom HITACHI CHEMICAL CO., LTD. (JP) 2003-12-18 US disclosed