SCHEMBL13705657

SCHEMBL13705657

NCCNc1nc(Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)nc(Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.47
CA2 P00918 12/20 0.47
CA9 Q16790 12/20 0.47
CA12 O43570 8/20 0.47
CA14 Q9ULX7 6/20 0.43
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CASP6 P55212 3/20 0.39
NSD2 O96028 2/20 0.39
DUSP3 P51452 2/20 0.39
PTPN5 P54829 2/20 0.39
PTPN11 Q06124 2/20 0.39
CASP7 P55210 1/20 0.39
PRMT1 Q99873 1/20 0.39
ENPP2 Q13822 1/20 0.38
NT5E P21589 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
SCHEMBL16661408 0.88 ALDH1A1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL14394384 0.83 CASP6 (0.47) CA1CA2CA9CASP6NSD2
SCHEMBL12198864 0.82 CA9 (0.56) CA1CA2CA9CA12CA14
SCHEMBL14394387 0.82 ENPP2 (0.36) CA1CA2CA9CA12CA14
SCHEMBL14614603 0.82 CA1 (0.40) CA1CA2CA9CA12CA14
SCHEMBL13705658 0.82 CA12 (0.49) CA1CA2CA9CA12CA14
SCHEMBL13012927 0.81 GBA1 (0.50) CA1CA2CA9CA12
SCHEMBL15836255 0.81 CA9 (0.64) CA1CA2CA9CA12CA14
SCHEMBL14401356 0.80 IDH2 (0.43) CA1CA2CA9CA12CA14
SCHEMBL13705643 0.79 CA1 (0.49) CA1CA2CA9CA12CA14

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