SCHEMBL13580474

SCHEMBL13580474

Nc1nc(N)nc(Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
FABP4 P15090 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK14 Q16539 1/20 0.45
NR4A1 P22736 1/20 0.44
FUT8 Q9BYC5 1/20 0.43
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.38
CASP6 P55212 2/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL13062097 0.88 FUT8 (0.40) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL20317595 0.80 FUT8 (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8333106 0.79 TTR (0.72) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL14018102 0.79 CA1 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL16661407 0.76 RAB9A (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10901024 0.76 APEX1 (0.48) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL149843 0.75 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29386756 0.75 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30867217 0.75 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11429354 0.75 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128202-A1 NOVEL PORPHYRAZINE DYE, INK, INK SET, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2009-12-02 EP disclosed