SCHEMBL6946434

SCHEMBL6946434

O=[N+]([O-])c1nccn1CC(O)COC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
TYMP P19971 3/20 0.37
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9724605 0.83 KMT2A (0.56) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL13065837 0.82 KMT2A (0.61) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL12396375 0.81 KMT2A (0.78) KMT2ALMNATHRBCYP2C19CA12
Misonidazole SCHEMBL51943 0.81 KMT2A (0.66) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL6358623 0.80 KMT2A (0.53) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL13020421 0.79 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL18401354 0.79 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
[18F]Fluoromisonidazole SCHEMBL17022268 0.79 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL1614950 0.79 KMT2A (0.67) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL2358150 0.79 KMT2A (0.71) KMT2ALMNATHRBCYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086068-A Immunochemical detection of hypoxia in normal and tumor tissue ALBERTA CANCER BOARD (CA) 1992-02-04 US claimed
US-20240165197-A1 H-NOX PROTEINS FOR TREATING CARDIOVASCULAR AND PULMONARY CONDITIONS OMNIOX, INC. 2024-05-23 US disclosed
CN-114478489-B Preparation method and application of fluorine-19 modified nitroimidazole compound and derivative thereof 中国科学院精密测量科学与技术创新研究院 2023-04-28 CN disclosed
CN-114478489-A Preparation method and application of fluorine-19 modified nitroimidazole compound and derivative thereof 中国科学院精密测量科学与技术创新研究院 2022-05-13 CN disclosed
US-10357577-B2 Bacterial nitroreductase enzymes and methods relating thereto AUCKLAND UNISERVICES LIMITED (NZ) 2019-07-23 US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 US disclosed
US-20130295011-A1 BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO VICTORIA LINK LIMITED (NZ) 2013-11-07 US disclosed
EP-0669913-B1 DETECTION OF HYPOXIA UNIV PENNSYLVANIA (US) 2003-03-05 EP disclosed
US-5843404-A Immunogenic conjugates of nitroaromatic compounds and proteins; monoclonal antibodies specific for nitroaromatic compounds , their protein conjugates TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-12-01 US disclosed
EP-0669913-A4 DETECTION OF HYPOXIA. UNIV PENNSYLVANIA (US) 1996-08-21 EP disclosed
US-5540908-A DETECTION OF OXYGEN DEPRIVATION USING IMMUNOHISTOLOGICAL METHODS THE TRUSTEES OF THE UNIV. OF PENNSYLVANIA (US) 1996-07-30 US disclosed
EP-0669913-A1 DETECTION OF HYPOXIA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-09-06 EP disclosed
WO-1994011348-A1 DETECTION OF HYPOXIA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-05-26 WO disclosed
US-5086068-A Immunochemical detection of hypoxia in normal and tumor tissue ALBERTA CANCER BOARD (CA) 1992-02-04 US disclosed