SCHEMBL2552173

SCHEMBL2552173

O=C1[N]C(=O)c2c1cccc2N1C(=O)C=CC1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.53
TLR9 Q9NR96 2/20 0.50
FAAH O00519 6/20 0.40
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 2/20 0.37
PKM P14618 2/20 0.37
ATM Q13315 2/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
BCHE P06276 1/20 0.33

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
SCHEMBL2403872 0.82 POLB (0.51) ALDH1A1HTT
SCHEMBL5870552 0.81 HPGD (0.39) MGLLALDH1A1PKMNPSR1TDP1
SCHEMBL19511338 0.77 TLR9 (0.58) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL30000220 0.74 TLR9 (0.54) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL28883466 0.74 TLR9 (0.54) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL11230760 0.73 TLR9 (0.52) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL6832688 0.72 TLR9 (0.76) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL11229952 0.71 TLR9 (0.50) MGLLTLR9FAAHALDH1A1NPSR1
SCHEMBL9719950 0.71 MGLL (0.88) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL11240803 0.70 TLR9 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313453-A1 METHOD FOR IMAGING ARTHRITIS Guy's And St Thomas' Nhs Foundation Trust (GB) 2018-05-02 EP disclosed
WO-2016207636-A1 METHOD FOR IMAGING ARTHRITIS GUY'S AND ST THOMAS' HOSPITAL NHS FOUNDATION TRUST (GB) 2016-12-29 WO disclosed
EP-2968594-A2 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2016-01-20 EP disclosed
WO-2014140862-A2 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SARL (CH) 2014-09-18 WO disclosed
EP-2558127-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES Seattle Genetics, Inc. (US) 2013-02-20 EP disclosed
WO-2011130613-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEATTLE GENETICS, INC. (US) 2011-10-20 WO disclosed
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 WO disclosed