SCHEMBL13705643

SCHEMBL13705643

NCCNc1nc(Nc2cccc(S(=O)(=O)O)c2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA9 Q16790 8/20 0.49
CA12 O43570 6/20 0.49
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
CA14 Q9ULX7 4/20 0.44
GBA1 P04062 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44
CA5A P35218 2/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
CHAT P28329 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
SNCA P37840 1/20 0.43
SYK P43405 2/20 0.42

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
SCHEMBL15836252 1.00 CA1 (0.49) CA1CA2CA9CA12RECQL
SCHEMBL12224581 0.95 CA1 (0.54) CA1CA2CA9CA12RECQL
SCHEMBL13012820 0.94 CA1 (0.44) CA1CA2CA9CA12RECQL
SCHEMBL16131119 0.90 CASR (0.42) CA1CA2CA9CA12CA14
SCHEMBL15316271 0.89 CA1 (0.48) CA1CA2CA9CA12SYK
SCHEMBL12198220 0.87 CA1 (0.43) CA1CA2CA9CA12RECQL
SCHEMBL12432797 0.87 CA1 (0.56) CA1CA2CA9RECQLMCL1
SCHEMBL10490862 0.86 SNCA (0.54) CA1CA2CA9CA12ENPP3
SCHEMBL12198864 0.85 CA9 (0.56) CA1CA2CA9CA12CA14
SCHEMBL15984406 0.84 CA1 (0.54) CA1CA2CA9GBA1KCNH3

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