SCHEMBL5329884

SCHEMBL5329884

O=S(=O)(O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1/C=C/c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
SNCA P37840 1/20 0.44
RHOA P61586 1/20 0.44
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NSD2 O96028 2/20 0.41
CASP6 P55212 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP7 P55210 1/20 0.41
PTPN11 Q06124 1/20 0.41
DDX3X O00571 2/20 0.40
APEX1 P27695 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5329908 1.00 ENPP2 (0.45) ENPP2SNCARHOACA12CA1
SCHEMBL8410065 0.99 ENPP2 (0.44) ENPP2SNCARHOACA12CA1
SCHEMBL4821335 0.99 ENPP2 (0.44) ENPP2SNCARHOACA12CA1
SCHEMBL14281491 0.95 CHAT (0.45) ENPP2SNCARHOACA12CA1
SCHEMBL17562387 0.95 SNCA (0.49) ENPP2SNCARHOACA12CA1
SCHEMBL13873110 0.95 CHAT (0.45) ENPP2SNCARHOACA12CA1
SCHEMBL11625123 0.95 ENPP2 (0.49) ENPP2SNCARHOACA12CA1
SCHEMBL168451 0.95 ENPP2 (0.49) ENPP2SNCARHOACA12CA1
SCHEMBL168452 0.95 ENPP2 (0.49) ENPP2SNCARHOACA12CA1
SCHEMBL15893991 0.94 CA12 (0.50) ENPP2SNCACA12CA1CA2

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-20170130172-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-11 US disclosed
US-20160304817-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2016-10-20 US disclosed
US-20160130537-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2016-05-12 US disclosed
WO-2014189980-A1 ENCAPSULATES PGIOSA (CH) 2014-11-27 WO disclosed
US-20140342972-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2014-11-20 US disclosed
WO-2007141735-A1 BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-12-13 WO disclosed