SCHEMBL4647699

SCHEMBL4647699

O=[N+]([O-])c1cc(F)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 3/20 0.44
HIF1A Q16665 2/20 0.44
TTR P02766 4/20 0.42
VCAM1 P19320 1/20 0.41
HSPB1 P04792 3/20 0.41
ESPL1 Q14674 1/20 0.37
PDE7A Q13946 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR35 Q9HC97 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL104470 0.86 TDP1 (0.52) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL28436740 0.81 ATM (0.44) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL1999340 0.80 TDP1 (0.57) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL29966805 0.80 TDP1 (0.57) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL1708265 0.78 TDP1 (0.45) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL29745076 0.78 TDP1 (0.45) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL2078816 0.77 TTR (0.57) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL3460888 0.77 TDP1 (0.53) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL9000095 0.77 ATM (0.44) TDP1ATMALDH1A1HIF1ATTR
SCHEMBL1680932 0.77 TTR (0.45) TDP1ATMALDH1A1HIF1ATTR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899371-A2 METHOD FOR PREPARING A COVALENTLY CROSS LINKED OLIGOMER OF AMYLOID BETA PEPTIDES Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007005358-A2 METHOD FOR PREPARING A COVALENTLY CROSS LINKED OLIGOMER OF AMYLOID BETA PEPTIDES MERCK & CO., INC. (US) 2007-01-11 WO claimed
WO-1993009799-A1 SUPPRESSION OF MEGAKARYOCYTOPOIESIS BY MACROPHAGE INFLAMMATORY PROTEINS UNIVERSITY OF PENNSYLVANIA (US) 1993-05-27 WO disclosed
WO-1993009794-A1 SUPPRESSION OF MEGAKARYOCYTOPOIESIS BY NEUTROPHIL ACTIVATING PEPTIDE-2 UNIVERSITY OF PENNSYLVANIA (US) 1993-05-27 WO disclosed
EP-0307476-A1 BILIRUBIN ANTIGEN, MONOCLONAL ANTIBODY THEREFOR, PROCESS FOR THEIR PREPARATION, AND THEIR USE KUKITA, Takeshi (JP) 1989-03-22 EP disclosed