SCHEMBL17033142

SCHEMBL17033142

CCCNCc1nc(Nc2ccc(S(=O)(=O)O)cc2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
SNCA P37840 2/20 0.44
CHAT P28329 2/20 0.42
CA12 O43570 2/20 0.41
PDE5A O76074 3/20 0.40
TNNI3K Q59H18 2/20 0.40
JAK1 P23458 2/20 0.39
HDAC1 Q13547 2/20 0.39
BRD4 O60885 2/20 0.39
KCNH3 Q9ULD8 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
NSD2 O96028 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
PTPN11 Q06124 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
SCHEMBL17033137 0.91 SNCA (0.46) CA1CA2CA9SNCACHAT
SCHEMBL15984415 0.86 CA1 (0.62) CA1CA2CA9SNCACHAT
SCHEMBL17033144 0.86 IDH2 (0.41) CA1CA2CA9SNCACA12
SCHEMBL16213862 0.86 SNCA (0.50) CA1CA2CA9SNCACHAT
SCHEMBL15984420 0.82 CA1 (0.63) CA1CA2CA9SNCACHAT
SCHEMBL12432797 0.81 CA1 (0.56) CA1CA2CA9SNCAPDE5A
SCHEMBL17033141 0.81 NPC1 (0.43) CA1CA2CA9CA12PDE5A
SCHEMBL17033129 0.80 GBA1 (0.39) CA1CA2CA9CHATPDE5A
SCHEMBL17033132 0.80 SNCA (0.38) SNCACHATPDE5ATNNI3KENPP3
SCHEMBL15806574 0.80 CA12 (0.57) CA1CA2CA9SNCACHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150240096-A1 COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD FOR INKJET RECORDING, INKJET PRINTER CARTRIDGE, AND INKJET RECORDING MATERIAL FUJIFILM CORPORATION (JP) 2015-08-27 US disclosed