SCHEMBL8780481

SCHEMBL8780481

Nc1c(Br)c(Br)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.58
MAOA P21397 3/20 0.58
CSNK1A1 P48729 2/20 0.58
CSNK1D P48730 2/20 0.58
CSNK1G1 Q9HCP0 2/20 0.58
FGR P09769 1/20 0.58
PIM1 P11309 1/20 0.58
DYRK1A Q13627 1/20 0.58
HIPK2 Q9H2X6 1/20 0.58
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NSD2 O96028 1/20 0.54
MAOB P27338 1/20 0.53

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
SCHEMBL10618461 0.90 CYP1A1 (0.51) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL11354425 0.90 ADORA2A (0.52) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL11378086 0.89 DAPK1 (0.57) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL3168254 0.83 MAOA (0.65) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL18984701 0.82 ADORA2A (0.63) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
Methane SCHEMBL28904311 0.81 MAOA (0.62) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL11314322 0.81 MAOA (0.53) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL11378287 0.80 CYP1A1 (0.46) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
1-Amino-2,4-Dibromoanthra-Quinone SCHEMBL3272427 0.79 FTO (0.64) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1
SCHEMBL27617413 0.78 MEN1 (0.55) ADORA2AMAOACSNK1A1CSNK1DCSNK1G1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079392-C Process for preparing 1,4-diamino anthraquinone-2,3-dicyan BASF AG (DE) 2002-02-20 CN claimed
CN-1052719-C Preparation method of 1, 4-diaminoanthraquinone-2, 3-disulfonic acid BASF AG (DE) 2000-05-24 CN claimed
CN-1218798-A Process for preparing 1,4-diamino anthraquinone-2,3-dicyan BASF AG (DE) 1999-06-09 CN claimed
US-5386042-A Reacting 1,4-diamino-2,3-dihaloanthraquinone with boric acid in inert organic solvent, reacting product with aqueous sulfite solution BASF AKTIENGESELLSCHAFT (DE) 1995-01-31 US claimed
CN-1085210-A Preparation of 1, 4-diaminoanthraquinone-2, 3-disulfonic acid and 1, 4-diaminoanthraquinone-2, 3-dinitrile BASF AG (DE) 1994-04-13 CN claimed
EP-0105762-B1 PROCESS FOR PRODUCING ANTHRAQUINONE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-09 EP claimed
US-4519947-A SULFONATING 1,4-DIAMINO-2,3-DIHALOGENO-ANTHRAQUINONE SUMITOMO CHEMICAL CO., LTD. (JP) 1985-05-28 US claimed
EP-0105762-A2 Process for producing anthraquinone compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP claimed
JP-59142253-A None JP disclosed
US-10263308-B2 Solar flow battery CORNELL UNIVERSITY (US) 2019-04-16 US disclosed
US-10079401-B2 Symmetric redox flow battery containing organic redox active molecule CORNELL UNIVERSITY (US) 2018-09-18 US disclosed
US-20170187059-A1 SYMMETRIC REDOX FLOW BATTERY CONTAINING ORGANIC REDOX ACTIVE MOLECULE CORNELL UNIVERSITY (US) 2017-06-29 US disclosed
US-20170179558-A1 SOLAR FLOW BATTERY CORNELL UNIVERSITY (US) 2017-06-22 US disclosed
CN-1079392-C Process for preparing 1,4-diamino anthraquinone-2,3-dicyan BASF AG (DE) 2002-02-20 CN disclosed
EP-0105762-A2 Process for producing anthraquinone compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP disclosed
US-4261909-A Process for the reductive removal of halogen atoms from anthraquinones CIBA-GEIGY AG (CH) 1981-04-14 US disclosed
US-RE29577-E Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US disclosed
US-4042605-A Process for the production of 1,4-diaminoanthraquinone-2,3-dinitrile BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed
US-3963763-A Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-06-15 US disclosed
US-3959315-A SULFONAMIDO BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed