SCHEMBL6572736

SCHEMBL6572736

Nc1ccc(N)c(-c2ccc(Br)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
EPRS1 P07814 1/20 0.37
USP2 O75604 1/20 0.37
IDO1 P14902 1/20 0.37
GPR35 Q9HC97 1/20 0.37
APP P05067 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GSK3B P49841 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL6036012 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL5523993 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL2479814 0.86 TDP1 (0.50) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL30075769 0.86 TDP1 (0.50) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL16694261 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1ALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL6571929 0.84 TDP1 (0.48) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL6011390 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL28202784 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL21087940 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL27994959 0.79 MAPT (0.49) ALDH1A1MAPK1ALOX15MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382756-A Quaternary carboxylic acid N, N, N ', the synthetic method of N ' four (4 carboxy vinyl phenyl) 1,4 phenylenediamines 遵义医学院 2017-11-24 CN claimed
CN-107325017-A A kind of synthetic method of 1,4 phenylenediamines of quaternary carboxylic acid N, N, N ', N ' four (4 ' carboxyl biphenyl base) 遵义医学院 2017-11-07 CN claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
CN-107382756-A Quaternary carboxylic acid N, N, N ', the synthetic method of N ' four (4 carboxy vinyl phenyl) 1,4 phenylenediamines 遵义医学院 2017-11-24 CN disclosed
CN-107325017-A A kind of synthetic method of 1,4 phenylenediamines of quaternary carboxylic acid N, N, N ', N ' four (4 ' carboxyl biphenyl base) 遵义医学院 2017-11-07 CN disclosed
CN-101024633-B Tricyclic arylamine monomer and polymers and devices thereof DOW GLOBAL TECHNOLOGIES INC 2012-11-07 CN disclosed
CN-101899143-A Triarylamine-containing polymers and electronic devices SUMITOMO CHEMICAL CO 2010-12-01 CN disclosed
CN-101113326-B White electroluminescent macromolecule material and method for making same CHANGCHUN APPLIED CHEMISTRY 2010-04-14 CN disclosed
CN-100543059-C White electroluminescent macromolecule material and preparation method thereof CHANGCHUN APPLIED CHEMISTRY (CN) 2009-09-23 CN disclosed
CN-100516118-C Tricyclic arylamine monomers, polymers thereof and devices DOW GLOBAL TECHNOLOGIES INC (US) 2009-07-22 CN disclosed
CN-101113327-A White electroluminescent macromolecule material and method for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2008-01-30 CN disclosed
CN-100363458-C White electroluminescent high polymer material and preparation method thereof CHANGCHUN APPLIED CHEMISTRY (CN) 2008-01-23 CN disclosed
CN-101061156-A Triarylamine-containing polymers and electronic devices SUMITOMO CHEMICAL CO (JP) 2007-10-24 CN disclosed
CN-101024633-A Tricyclic arylamine monomer and polymers and devices thereof DOW GLOBAL TECHNOLOGIES INC (US) 2007-08-29 CN disclosed
CN-1729229-A Tricyclic arylamine monomers, polymers thereof and devices DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 CN disclosed
CN-1580179-A White electroluminescent high polymer material and preparation method thereof CHANGCHUN APPLIED CHEMISTRY (CN) 2005-02-16 CN disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed