SCHEMBL7086433

SCHEMBL7086433

COC(=O)c1ccc([N+](=O)[O-])c(COC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 1/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP10 Q14694 1/20 0.47
AR P10275 1/20 0.45
PELP1 Q8IZL8 1/20 0.45
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29393897 0.88 KMT2A (0.50) VCAM1KMT2AALDH1A1MEN1MAPT
SCHEMBL4285904 0.87 VCAM1 (0.55) VCAM1KMT2AALDH1A1MEN1MAPT
SCHEMBL29393477 0.87 VCAM1 (0.49) VCAM1KMT2AALDH1A1MEN1MAPT
SCHEMBL27548058 0.86 CASP6 (0.55) POLB
SCHEMBL18013199 0.84 VCAM1 (0.61) VCAM1KMT2AALDH1A1MEN1MAPT
SCHEMBL3970290 0.83 VCAM1 (0.53) VCAM1KMT2AALDH1A1MEN1MAPT
SCHEMBL7084968 0.83 VCAM1 (0.56) VCAM1KMT2AALDH1A1MEN1HTT
SCHEMBL2876988 0.82 VCAM1 (0.55) VCAM1KMT2AALDH1A1MEN1HTT
SCHEMBL29995132 0.82 VCAM1 (0.55) VCAM1KMT2AALDH1A1MEN1HTT
SCHEMBL17208836 0.81 BACE1 (0.47) KMT2AALDH1A1MEN1MAPTRECQL

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181818-C Method for treating protozoal infections 阿莱格亨尼健康科学大学 2004-12-29 CN disclosed
CN-1136451-C Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ��ũҵ��ѧ��˾ 2004-01-28 CN disclosed
EP-0878192-B1 Treating protozoal infections ALLEGHENY UNIVERSITY OF THE HE (US) 2003-07-23 EP disclosed
US-6500405-B1 EVALUATING THE SENSITIVITY OF A TEST CELL POPULATION TO AN ANTITUBULIN COMPOUND COMPRISING INCUBATING CELLS OR CELL EXTRACTS WITH AN AMIDE PROBE IN THE PRESENCE AND ABSENCE OF AN ANTITUBULIN TEST COMPOUND DOW AGROSCIENCES LLC 2002-12-31 US disclosed
EP-0816328-B1 Process for the manufacture of acetonylbenzamides DOW AGROSCIENCES LLC (US) 2002-03-27 EP disclosed
US-6140362-A INHIBITING MAMMALIAN CELL GROWTH IN BENIGN OR MALIGNANT TUMORS COMPRISING TREATING SAID CELLS WITH AN EFFECTIVE AMOUNT OF A N-ACETONYLARYLAMIDES COMPOUND ROHM AND HAAS COMPANY (US) 2000-10-31 US disclosed
US-6107316-A USING AN HETEROCYCLIC AMIDE COMPOUND ROHM AND HAAS COMPANY (US) 2000-08-22 US disclosed
EP-0843018-B1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 2000-07-05 EP disclosed
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5981435-A APPLYING TO THE LOCUS OF THE ALGAE AN ALGICIDALLY EFFECTIVE AMOUNT OF N-ACETONYLARYLAMIDE DERIVATIVES ROHM AND HAAS COMPANY (US) 1999-11-09 US disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
CN-1211736-A Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 1999-03-24 CN disclosed
US-5874466-A REACTING AMINE AND ACYL CHLORIDE, HYDROGENOLYSIS ROHM AND HAAS COMPANY (US) 1999-02-23 US disclosed
EP-0880893-A1 Method for controlling algae ROHM AND HAAS COMPANY (US) 1998-12-02 EP disclosed
EP-0878192-A2 Method for treating protozoal infections Allegheny University of The Health Sciences (US) 1998-11-18 EP disclosed
CN-1198330-A Method for treating protozoal infections ALLEGHENY UNIVERSITY OF THE HE (US) 1998-11-11 CN disclosed
EP-0843018-A1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM AND HAAS COMPANY (US) 1998-05-20 EP disclosed
EP-0834311-A1 Method for inhibiting the growth of mammalian cells ROHM AND HAAS COMPANY (US) 1998-04-08 EP disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed