SCHEMBL16213845

SCHEMBL16213845

CCc1nc(NCCS(=O)(=O)O)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.41
GBA1 P04062 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
PDE5A O76074 5/20 0.41
PDE4B Q07343 3/20 0.39
PDE4D Q08499 2/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CHAT P28329 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
TNNI3K Q59H18 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
SCHEMBL15984402 0.91 CA1 (0.51) KCNH3GBA1CA1CA2CA9
SCHEMBL17033129 0.89 GBA1 (0.39) KCNH3GBA1CA1CA2CA9
SCHEMBL13012820 0.86 CA1 (0.44) KCNH3GBA1CA1CA2CA9
SCHEMBL16213864 0.86 CA1 (0.53) KCNH3GBA1CA1CA2CA9
SCHEMBL13012818 0.86 GBA1 (0.41) KCNH3GBA1CA1CA2CA9
SCHEMBL15804189 0.86 PTK2 (0.46) KCNH3GBA1CA1CA2CA9
SCHEMBL16213862 0.85 SNCA (0.50) CA1CA2CA9PDE4BPDE4D
SCHEMBL15804160 0.85 CA1 (0.42) KCNH3GBA1CA1CA2CA9
SCHEMBL12432797 0.85 CA1 (0.56) KCNH3GBA1CA1CA2CA9
SCHEMBL15804180 0.83 PTK2 (0.47) KCNH3GBA1PDE5AENPP3ENPP1

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