SCHEMBL6651899

SCHEMBL6651899

O=C1c2ccc(Br)cc2C(=O)N1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.59
ESR2 Q92731 2/20 0.59
S100A4 P26447 1/20 0.52
NPC1 O15118 1/20 0.50
BCL2 P10415 2/20 0.48
MCL1 Q07820 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 2/20 0.46
PTPRC P08575 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
STAT3 P40763 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APP P05067 1/20 0.43
ERCC1 P07992 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
SCHEMBL7900508 0.80 ESR1 (0.62) ESR1ESR2CA1CA2CA7
SCHEMBL1783796 0.78 APP (0.66) ESR1ESR2S100A4NPC1ALDH1A1
SCHEMBL29012555 0.77 ESR1 (0.50) ESR1ESR2S100A4NPC1BCL2
SCHEMBL25060901 0.77 KDM4E (0.57) ESR1ESR2NPC1ALDH1A1POLB
SCHEMBL9550316 0.75 ESR1 (0.51) ESR1ESR2S100A4NPC1BCL2
SCHEMBL3279383 0.74 CA9 (0.53) NPC1CA1CA2CA4CA7
SCHEMBL42876 0.74 ALDH1A1 (0.55) S100A4NPC1ALDH1A1POLBPTPRC
SCHEMBL43924 0.74 KDM4E (0.48) ESR1ESR2NPC1CA1CA2
SCHEMBL31411903 0.74 CA9 (0.53) NPC1CA1CA2CA4CA7
SCHEMBL2239437 0.74 S100A4 (0.52) S100A4NPC1ALDH1A1POLBERCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113308705-B Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate 湖南大学 2022-04-08 CN claimed
CN-113308704-B Electrooxidation preparation method of naproxen intermediate 湖南大学 2022-04-08 CN claimed
CN-113308705-A Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate 湖南大学 2021-08-27 CN claimed
CN-113308704-A Electrooxidation preparation method of naproxen intermediate 湖南大学 2021-08-27 CN claimed
EP-1235782-B1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GEN ELECTRIC (US) 2004-02-18 EP claimed
US-6465685-B1 SUCH AS CHLORO-O-XYLENE, ARE OXIDIZED IN A SOLVENT IN THE PRESENCE OF A METAL COMPOUND CATALYST WITH ADDITION OF PROMOTER AFTER THE REACTION HAS PROCEEDED TO AN INTERMEDIATE STAGE; PRODUCT COMPRISES CHLOROPHTHALIC ACID OR ANHYDRIDE GENERAL ELECTRIC COMPANY 2002-10-15 US claimed
EP-1235781-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2002-09-04 EP claimed
EP-1235782-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2002-09-04 EP claimed
US-6399790-B1 USING METAL CATALYST GENERAL ELECTRIC COMPANY 2002-06-04 US claimed
WO-2001038281-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2001-05-31 WO claimed
WO-2001038282-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2001-05-31 WO claimed
CN-113308705-B Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate 湖南大学 2022-04-08 CN disclosed
CN-113308704-B Electrooxidation preparation method of naproxen intermediate 湖南大学 2022-04-08 CN disclosed
CN-113308704-A Electrooxidation preparation method of naproxen intermediate 湖南大学 2021-08-27 CN disclosed
CN-113308705-A Electrooxidation preparation method of kresoxim-methyl and trifloxystrobin intermediate 湖南大学 2021-08-27 CN disclosed
EP-1235781-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2002-09-04 EP disclosed
US-6399790-B1 USING METAL CATALYST GENERAL ELECTRIC COMPANY 2002-06-04 US disclosed
WO-2001038281-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2001-05-31 WO disclosed
WO-2001038282-A1 METHOD FOR OXIDATION OF XYLENE DERIVATIVES GENERAL ELECTRIC COMPANY (US) 2001-05-31 WO disclosed
US-5237059-A Compounds capable of generating an acid by light irradiation FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed