SCHEMBL7048967

SCHEMBL7048967

O=[N+]([O-])c1ccc(CCl)s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 4/20 0.53
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
NR1D1 P20393 7/20 0.48
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
NR1H3 Q13133 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL28992931 0.84 KMT2A (0.51) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL960965 0.79 MAPT (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL4880954 0.79 MAPT (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL10160727 0.79 KMT2A (0.54) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL9449945 0.77 MEN1 (0.49) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL6261093 0.77 MAPT (0.52) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL20590054 0.76 MAPT (0.50) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL1937601 0.76 MAPT (0.50) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL8423313 0.76 MAPT (0.50) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL5182378 0.76 KMT2A (0.51) KMT2AMEN1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655544-A Host-guest supermolecular probe for accelerating nitroreductase detection and application thereof 大连理工大学 2023-08-29 CN claimed
CN-116655544-B Host-guest supermolecular probe for accelerating nitroreductase detection and application thereof 大连理工大学 2025-02-07 CN disclosed
CN-116655544-A Host-guest supermolecular probe for accelerating nitroreductase detection and application thereof 大连理工大学 2023-08-29 CN disclosed
WO-2008151253-A1 HYPOXIA ACTIVATED PRODRUGS OF ANTINEOPLASTIC AGENTS THRESHOLD PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed
EP-0850224-B1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2003-04-09 EP disclosed
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed