SCHEMBL16213862

SCHEMBL16213862

CCc1nc(Nc2ccc(S(=O)(=O)O)cc2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.50
PDE4B Q07343 11/20 0.47
PDE4D Q08499 6/20 0.47
CHAT P28329 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
TNNI3K Q59H18 1/20 0.45
NSD2 O96028 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
PTPN11 Q06124 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 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
SCHEMBL17033137 0.88 SNCA (0.46) SNCAPDE4BPDE4DCHATCA1
SCHEMBL16213857 0.88 PDE4B (0.43) SNCAPDE4BPDE4DCHATTNNI3K
SCHEMBL16213850 0.86 NPC1 (0.51) PDE4BPDE4D
SCHEMBL17033142 0.86 CA1 (0.46) SNCACHATCA1CA2CA9
SCHEMBL15806574 0.86 CA12 (0.57) SNCACHATCA1CA2CA9
SCHEMBL15984415 0.85 CA1 (0.62) SNCACHATCA1CA2CA9
SCHEMBL16213845 0.85 KCNH3 (0.41) PDE4BPDE4DCHATCA1CA2
SCHEMBL5528958 0.84 IDH2 (0.45) SNCAPDE4BPDE4DCA1CA2
SCHEMBL10490862 0.84 SNCA (0.54) SNCACHATCA1CA2CA9
SCHEMBL15984420 0.83 CA1 (0.63) 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-8876915-B2 Coloring composition and ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-11-04 US disclosed