SCHEMBL8159648

SCHEMBL8159648

O=[N+]([O-])c1ccc(F)c2ccoc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 5/20 0.41
CASP6 P55212 2/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 4/20 0.35
HTT P42858 2/20 0.35
TDO2 P48775 2/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL27865031 0.79 LMNA (0.41) TDP1ATMALDH1A1LMNAMAPT
SCHEMBL1055128 0.79 TDP1 (0.48) VCAM1TDP1ALDH1A1LMNAKDM4E
SCHEMBL29390318 0.79 TDP1 (0.48) VCAM1TDP1ALDH1A1LMNAKDM4E
SCHEMBL29164231 0.77 VCAM1 (0.39) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL28357320 0.75 ALDH1A1 (0.45) TDP1ALDH1A1LMNAMAPTKDM4E
SCHEMBL27899102 0.75 LMNA (0.38) TDP1LMNAMAPTL3MBTL1PAX8
SCHEMBL1864087 0.72 LMNA (0.40) VCAM1TDP1ALDH1A1LMNAMAPT
SCHEMBL2260017 0.71 SMN1; SMN2 (0.45) TDP1ALDH1A1LMNAMAPTKDM4E
SCHEMBL27953904 0.71 CYP1A2 (0.50) TDP1ALDH1A1LMNACASP6SMN1; SMN2
SCHEMBL31533373 0.71 LMNA (0.48) VCAM1TDP1ATMALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251283-A2 Poly-labelled oligonucleotide derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1988-01-07 EP claimed
CN-117929444-A Method, system and related equipment for measuring Hamiltonian amount of sample 深圳量旋科技有限公司 2024-04-26 CN disclosed
CN-111057068-B Multichannel mass spectrum derivative reagent for detecting sphingosine glucoside and sphingosine galactoside, and preparation method and application thereof 曲阜师范大学 2022-03-08 CN disclosed
CN-107407668-B Method and system for analyzing optical rotation of bound amino acid 镜株式会社 2020-07-03 CN disclosed
CN-111057068-A Multichannel mass spectrum derivative reagent for detecting sphingosine glucoside and sphingosine galactoside, and preparation method and application thereof 曲阜师范大学 2020-04-24 CN disclosed
CN-101103107-A Nucleic acid fragment for detecting nucleic acid and method of detecting nucleic acid WAKUNAGA PHARMA CO LTD (JP) 2008-01-09 CN disclosed
US-6013680-A THE MEDICINE COMPRISES A COMBINATION OF AT LEAST ONE AGENT SELECTED FROM THE GROUP CONSISTING OF HISTAMINE H2 RECEPTOR ANTAGONISTS AND PROTON PUMP INHIBITORS, AND A DIGESTIVE ENZYME TO TREAT GASTRIC ULCER AMANO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
US-5939542-A OLIGONUCLEOTIDE PROBES USED TO SCREEN LIBRARIES IN ORDER TO IDENTIFY AND CLASSIFY HUMAN LEUKOCYTE ANTIGENS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-08-17 US disclosed
US-5601976-A Method for detecting target nucleic acid in specimen WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-02-11 US disclosed
EP-0348529-B1 METHOD FOR DETECTING TARGET NUCLEIC ACID IN SPECIMEN WAKUNAGA SEIYAKU KK (JP) 1995-06-14 EP disclosed
WO-1991005605-A1 CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-05-02 WO disclosed
EP-0348529-A1 METHOD FOR DETECTING TARGET NUCLEIC ACID IN SPECIMEN WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-01-03 EP disclosed
EP-0251283-A2 Poly-labelled oligonucleotide derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1988-01-07 EP disclosed