SCHEMBL1722260

SCHEMBL1722260

N#Cc1cccc(/C=C/c2ccccc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NFE2L2 Q16236 4/20 0.44
TRPA1 O75762 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 2/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL1932226 1.00 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
Benzene SCHEMBL29106073 1.00 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
Benzene SCHEMBL29196105 0.85 NFE2L2 (0.50) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL29628296 0.85 NFE2L2 (0.50) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL1674897 0.85 NFE2L2 (0.50) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL1286236 0.85 NFE2L2 (0.50) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL9447358 0.85 NFE2L2 (0.47) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL30368166 0.83 ALDH1A1 (0.41) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL11486051 0.83 NFE2L2 (0.48) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL11486049 0.83 NFE2L2 (0.48) ALDH1A1HPGDALOX12L3MBTL1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403990-A2 ENZYMATIC TEXTILE BLEACH-WHITENING METHODS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2012-01-11 EP claimed
WO-2010100028-A2 ENZYMATIC TEXTILE BLEACH-WHITENING METHODS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2010-09-10 WO claimed
EP-0064303-B1 MIXTURES OF BISCYANOSTYRYL BENZENES BASF Aktiengesellschaft (DE) 1985-04-10 EP claimed
EP-2403990-A2 ENZYMATIC TEXTILE BLEACH-WHITENING METHODS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2012-01-11 EP disclosed
WO-2010100028-A2 ENZYMATIC TEXTILE BLEACH-WHITENING METHODS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2010-09-10 WO disclosed
US-20070204410-A1 Method For Optical Brightening Of Synthetic Fibres Or Of Synthetic Fibres Mixed With Natural Fibres BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 US disclosed
US-20050235429-A1 Method for brightening textile materials BASF AKTIENGESSELLSCHAFT (DE) 2005-10-27 US disclosed
EP-0470455-B1 Antistatic expansible polystyrene pearls BASF AG (DE) 1995-09-27 EP disclosed
US-5110835-A Coated with hydroxyl-containing quaternary ammonium salt BASF AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
EP-0470455-A2 Antistatic expansible polystyrene pearls BASF Aktiengesellschaft (DE) 1992-02-12 EP disclosed
US-4610807-A FLUORESCENT BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0064303-B1 MIXTURES OF BISCYANOSTYRYL BENZENES BASF Aktiengesellschaft (DE) 1985-04-10 EP disclosed
EP-0064303-A1 Mixtures of biscyanostyryl benzenes BASF Aktiengesellschaft (DE) 1982-11-10 EP disclosed