SCHEMBL6545318

SCHEMBL6545318

C=C(C)CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 7/20 0.48
GAA P10253 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
PKM P14618 1/20 0.45
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7198388 0.80 MAPK1 (0.55) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL9655244 0.78 MEN1 (0.59) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL11574765 0.78 KMT2A (0.59) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL11273856 0.77 MEN1 (0.51) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL9952302 0.75 ALDH1A1 (0.59) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL469615 0.75 MEN1 (0.59) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL11201808 0.74 MAPT (0.62) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL28266076 0.74 MAPT (0.58) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL9345969 0.74 MEN1 (0.49) MEN1KMT2AMAPK1GAARXFP1
SCHEMBL9658215 0.73 MEN1 (0.48) MEN1KMT2AMAPK1GAARXFP1

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-1372395-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-01-02 EP claimed
CN-1391439-A Synergistic herbicidal active substance combinations BAYER AG (DE) 2003-01-15 CN claimed
WO-2002071845-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2002-09-19 WO claimed
EP-0257771-B1 Herbicidal method using diflufenican MAY & BAKER LTD (GB) 1994-03-23 EP claimed
CN-110612119-B Phosphatidylether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2024-10-29 CN disclosed
CN-1396953-A P450 monooxygenases of CYP79 family SYNGENTA PARTICIPATIONS AG (CH) 2003-02-12 CN disclosed
CN-1391439-A Synergistic herbicidal active substance combinations BAYER AG (DE) 2003-01-15 CN disclosed
EP-0792102-B1 NEW SYNERGISTIC HERBICIDAL COMPOSITIONS COMPRISING 4-BENZOYLISOXAZOLES AND 2,6-DINITROANILINE COMPOUNDS AVENTIS AGRICULTURE LTD (GB) 2001-01-24 EP disclosed
WO-1998051153-A1 HERBICIDAL METHODS AND DERIVATIVES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-11-19 WO disclosed
EP-0257771-B1 Herbicidal method using diflufenican MAY & BAKER LTD (GB) 1994-03-23 EP disclosed
EP-0088552-B1 ENCAPSULATION BY ENTRAPMENT WITHIN POLYHYDROXY POLYMER BORATES THE UNITED STATES OF AMERICA as represented by the Secretary UNITED STATES DEPARTMENT OF COMMERCE (US) 1986-11-12 EP disclosed
US-4439488-A Encapsulation by entrapment within polyhydroxy polymer borates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-03-27 US disclosed
WO-1983002906-A1 ENCAPSULATION BY ENTRAPMENT WITHIN POLYHYDROXY POLYMER BORATES US AGRICULTURE (US) 1983-09-01 WO disclosed