SCHEMBL1984615

SCHEMBL1984615

O=C(Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
MMP14 P50281 1/20 0.70
CYP1A2 P05177 2/20 0.62
TSHR P16473 1/20 0.62
CASP3 P42574 1/20 0.53
POLB P06746 4/20 0.52
BLM P54132 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
CCR6 P51684 1/20 0.52
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
HSP90AA1 P07900 3/20 0.49
HSP90AB1 P08238 3/20 0.49
NSD2 O96028 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
TDP2 O95551 1/20 0.49
G6PD P11413 1/20 0.49
PAX8 Q06710 1/20 0.49

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
SCHEMBL11847585 0.92 MEN1 (0.58) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL9846535 0.92 MEN1 (0.60) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL6419867 0.91 MEN1 (0.82) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL30544874 0.91 MEN1 (0.82) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL11149668 0.87 CYP1A2 (0.62) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL10940027 0.87 CYP1A2 (0.62) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL9174800 0.86 MEN1 (0.76) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL12957175 0.86 MEN1 (0.76) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL14600815 0.86 MEN1 (0.76) MEN1KMT2AMMP14CYP1A2TSHR
SCHEMBL9846598 0.84 CASP3 (0.63) MEN1KMT2AMMP14CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104448889-A Preparation method of vat brown R XIAO COUNTY KAIQI CHEMICAL TECHNOLOGY CO LTD 2015-03-25 CN claimed
US-20120296097-A1 PREPARATION METHOD OF ORIGINAL DYE OF VAT BROWN R XUZHOU KEDAH FINE CHEMICALS LIMITED (CN) 2012-11-22 US claimed
CN-1313434-C Darr reaction process of quinone derivative composition to produce free radical and its application SHANDONG PROVINCIAL RES CT FOR (CN) 2007-05-02 CN claimed
CN-1526695-A Darr reaction process of quinone derivative composition to produce free radical and its application 山东省生物信息工程技术研究中心 2004-09-08 CN claimed
EP-0826739-A1 Process for the preparation of substituted aminoanthraquinones BAYER AG (DE) 1998-03-04 EP claimed
US-4384119-A Catalytically reductive ring closure for 1-acylamino-3,4-phthaloylacridones CIBA-GEIGY CORPORATION (US) 1983-05-17 US claimed
EP-0057665-A1 Process for the preparation of 1-acylamino-3,4-phthaloyl-acridones CIBA-GEIGY AG (CH) 1982-08-11 EP claimed
CN-104448889-A Preparation method of vat brown R XIAO COUNTY KAIQI CHEMICAL TECHNOLOGY CO LTD 2015-03-25 CN disclosed
US-20120296097-A1 PREPARATION METHOD OF ORIGINAL DYE OF VAT BROWN R XUZHOU KEDAH FINE CHEMICALS LIMITED (CN) 2012-11-22 US disclosed
US-20120296097-A1 PREPARATION METHOD OF ORIGINAL DYE OF VAT BROWN R XUZHOU KEDAH FINE CHEMICALS LIMITED (CN) 2012-11-22 US disclosed
WO-2011072445-A1 PREPARATION METHOD OF ORIGINAL DYE OF VAT BROWN R 徐州开达精细化工有限公司 (CN) 2011-06-23 WO disclosed
CN-1313434-C Darr reaction process of quinone derivative composition to produce free radical and its application SHANDONG PROVINCIAL RES CT FOR (CN) 2007-05-02 CN disclosed
CN-1526695-A Darr reaction process of quinone derivative composition to produce free radical and its application 山东省生物信息工程技术研究中心 2004-09-08 CN disclosed
EP-0057665-B1 PROCESS FOR THE PREPARATION OF 1-ACYLAMINO-3,4-PHTHALOYL-ACRIDONES CIBA-GEIGY AG (CH) 1985-05-29 EP disclosed
EP-0136981-A2 Process for the preparation of anthraquinone imide compounds CIBA-GEIGY AG (CH) 1985-04-10 EP disclosed
US-4384119-A Catalytically reductive ring closure for 1-acylamino-3,4-phthaloylacridones CIBA-GEIGY CORPORATION (US) 1983-05-17 US disclosed
EP-0057665-A1 Process for the preparation of 1-acylamino-3,4-phthaloyl-acridones CIBA-GEIGY AG (CH) 1982-08-11 EP disclosed
US-3972881-A VAT, CELLULOSE CIBA-GEIGY CORPORATION (US) 1976-08-03 US disclosed
US-3939113-A ANTHRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1976-02-17 US disclosed
US-3935208-A NATURAL OR REGENERATED CELLULOSE ALTERMATT HANS 1976-01-27 US disclosed