SCHEMBL13062097

SCHEMBL13062097

NCCNc1nc(N)nc(Nc2cc(S(=O)(=O)O)cc3cccc(S(=O)(=O)O)c23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.40
TTR P02766 1/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK14 Q16539 1/20 0.38
NR4A1 P22736 1/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
CHAT P28329 4/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
HTR6 P50406 2/20 0.33
USP2 O75604 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL16661407 0.88 RAB9A (0.46) FUT8TTRFABP4CCNA2CDK2
SCHEMBL13580474 0.88 TTR (0.45) FUT8TTRFABP4CCNA2CDK2
SCHEMBL13062135 0.86 GBA1 (0.46) CA1CA2CA9CA12
SCHEMBL13012881 0.83 SYK (0.32) FUT8CA1CA2CA9CA12
SCHEMBL12745398 0.83 CA1 (0.42) CA1CA2CA9CA12CHAT
SCHEMBL1754846 0.81 FUT8 (0.41) FUT8CA1CA2CA9CA12
SCHEMBL15836276 0.78 CA1 (0.45) CA1CA2CA9CA12CHAT
SCHEMBL12332926 0.78 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL14614603 0.74 CA1 (0.40) CA1CA2CA9CA12CHAT
SCHEMBL13012869 0.74 RHOA (0.50) CA1CA2CA9CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7854797-B2 Porphyrazine coloring matter, ink, ink set, and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-21 US disclosed
US-20100112218-A1 NOVEL PORPHYRAZINE COLORING MATTER, INK, INK SET, AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-05-06 US disclosed