SCHEMBL13705656

SCHEMBL13705656

CS(=O)(=O)NCCNc1nc(Nc2ccc(S(=O)(=O)O)cc2)nc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.52
CA1 P00915 15/20 0.48
CA2 P00918 15/20 0.48
CA9 Q16790 15/20 0.48
CA12 O43570 10/20 0.47
CA14 Q9ULX7 8/20 0.46
CA5A P35218 3/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 1/20 0.44
CA3 P07451 1/20 0.44
NSD2 O96028 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
PTPN11 Q06124 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA13 Q8N1Q1 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
SCHEMBL13705645 0.91 CA1 (0.46) SNCACA1CA2CA9CA12
SCHEMBL23746641 0.88 CA9 (0.53) CA1CA2CA9CA12CA14
SCHEMBL10168986 0.87 CA9 (0.50) CA1CA2CA9CA12CA14
SCHEMBL10169010 0.87 CA1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL24139967 0.87 CA1 (0.45) SNCACA1CA2CA9CA12
SCHEMBL15840096 0.86 KCNH3 (0.42) SNCACA1CA2CA9CA12
SCHEMBL15804162 0.84 CA1 (0.48) SNCACA1CA2CA9CA12
SCHEMBL12198864 0.84 CA9 (0.56) SNCACA1CA2CA9CA12
SCHEMBL10169004 0.84 KCNH3 (0.51) CA1CA2CA9CA12CA14
SCHEMBL10168992 0.84 PDE5A (0.42) SNCACA1CA2CA9CA12

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-7585361-B2 Porphyrazine coloring matter, ink, ink set and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-09-08 US disclosed
US-20090151599-A1 Porphyrazine Coloring Matter, Ink, Ink Set and Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-06-18 US disclosed