SCHEMBL13705658

SCHEMBL13705658

CNc1nc(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 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA13 Q8N1Q1 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.44
CASP6 P55212 3/20 0.43
NSD2 O96028 2/20 0.43
DUSP3 P51452 2/20 0.43
PTPN5 P54829 2/20 0.43
PTPN11 Q06124 2/20 0.43
CASP7 P55210 1/20 0.43
PRMT1 Q99873 1/20 0.43
SNCA P37840 2/20 0.42
ENPP2 Q13822 2/20 0.41

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
SCHEMBL14394384 0.88 CASP6 (0.47) CA1CA2CA9CASP6NSD2
SCHEMBL11154841 0.84 PRMT1 (0.50) CA12CA1CA2CASP6NSD2
SCHEMBL11879794 0.84 CA12 (0.49) CA12CA1CA2CA9CA5A
SCHEMBL11149987 0.83 PRMT1 (0.49) CA12CA1CA2CASP6NSD2
SCHEMBL12215088 0.83 CASP6 (0.45) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL13705657 0.82 CA1 (0.47) CA12CA1CA2CA9CA4
SCHEMBL14401355 0.81 RHOA (0.59) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL14394380 0.77 RHOA (0.45) CA1CA2CA9CASP6NSD2
SCHEMBL12215409 0.77 CHAT (0.38) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL11881901 0.76 ENPP2 (0.49) CA12CA1CA2CA9CA5A

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