SCHEMBL5374652

SCHEMBL5374652

N#Cc1ccc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NFE2L2 Q16236 3/20 0.38
TRPA1 O75762 2/20 0.38
PRKCQ Q04759 4/20 0.36
PRKCD Q05655 2/20 0.35
CHAT P28329 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
GAA P10253 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
SCHEMBL5374654 1.00 ALDH1A1 (0.46) ALDH1A1HPGDALOX12L3MBTL1KDM4E
SCHEMBL5394327 0.87 ALDH1A1 (0.43) ALDH1A1HPGDALOX12L3MBTL1KDM4E
SCHEMBL5374747 0.87 ALDH1A1 (0.43) ALDH1A1HPGDALOX12L3MBTL1KDM4E
SCHEMBL5379049 0.80 ALDH1A1 (0.50) ALDH1A1HPGDALOX12L3MBTL1KDM4E
SCHEMBL325831 0.80 ALDH1A1 (0.50) ALDH1A1HPGDALOX12L3MBTL1KDM4E
Benzene SCHEMBL29106073 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1KDM4E
SCHEMBL11867943 0.79 NFE2L2 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL11867936 0.79 NFE2L2 (0.44) ALDH1A1HPGDALOX12L3MBTL1MAOA
SCHEMBL1932226 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1KDM4E
SCHEMBL1722260 0.79 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1KDM4E

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 3 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