SCHEMBL17033137

SCHEMBL17033137

CCNCc1nc(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
SNCA P37840 2/20 0.46
CHAT P28329 3/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
CA12 O43570 4/20 0.42
TNNI3K Q59H18 2/20 0.42
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
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
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
BRD4 O60885 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL17033142 0.91 CA1 (0.46) SNCACHATCA1CA2CA9
SCHEMBL17033132 0.89 SNCA (0.38) SNCACHATTNNI3KENPP3ENPP1
SCHEMBL16213862 0.88 SNCA (0.50) SNCACHATCA1CA2CA9
SCHEMBL17033128 0.88 NPC1 (0.47) CHATENPP3ENPP1JAK2
SCHEMBL17033129 0.86 GBA1 (0.39) CHATCA1CA2CA9TNNI3K
SCHEMBL17033143 0.86 IDH2 (0.42) SNCACA1CA2CA9CA12
SCHEMBL15806574 0.82 CA12 (0.57) SNCACHATCA1CA2CA9
SCHEMBL15984415 0.81 CA1 (0.62) SNCACHATCA1CA2CA9
SCHEMBL17033145 0.81 CA9 (0.49) CA1CA2CA9CA12CA4
SCHEMBL16213866 0.80 SNCA (0.44) SNCACHATCA1CA2CA9

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