SCHEMBL5374747

SCHEMBL5374747

N#Cc1ccc(/C=C/c2ccccc2)c(C#N)c1/C=C/c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NFE2L2 Q16236 3/20 0.38
TRPA1 O75762 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.37
PRKCQ Q04759 5/20 0.36
PRKCD Q05655 3/20 0.35
CHAT P28329 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL5394327 1.00 ALDH1A1 (0.43) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL5374654 0.87 ALDH1A1 (0.46) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL5374652 0.87 ALDH1A1 (0.46) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL325831 0.84 ALDH1A1 (0.50) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL5379049 0.84 ALDH1A1 (0.50) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL11867936 0.79 NFE2L2 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA
Benzene SCHEMBL29106073 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL11867943 0.79 NFE2L2 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL1932226 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL1722260 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176255-B2 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20050075453-A1 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAF (DE) 2005-04-07 US disclosed
US-6727318-B1 EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED AND DYE-COMPRISING MONOMERS IN PRESENCE OF FREE-RADICAL INITIATORS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1054907-B1 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AG (DE) 2004-04-14 EP disclosed
EP-1054907-A2 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-1999040123-A2 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed