SCHEMBL17033145

SCHEMBL17033145

CCNCc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 15/20 0.49
CA1 P00915 14/20 0.49
CA2 P00918 14/20 0.49
CA12 O43570 10/20 0.44
CA14 Q9ULX7 8/20 0.44
CA5A P35218 3/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA5B Q9Y2D0 1/20 0.42
CA3 P07451 1/20 0.42
KCNH3 Q9ULD8 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
GBA1 P04062 1/20 0.37
CA13 Q8N1Q1 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
SCHEMBL16213864 0.89 CA1 (0.53) CA9CA1CA2CA12CA14
SCHEMBL17033129 0.87 GBA1 (0.39) CA9CA1CA2KCNH3GBA1
SCHEMBL15984417 0.86 CA1 (0.66) CA9CA1CA2CA12CA14
SCHEMBL17033127 0.84 CA1 (0.35) CA9CA1CA2LMNAMAPT
SCHEMBL10273544 0.84 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL10169008 0.83 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL14817402 0.83 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL13475969 0.81 CA1 (0.50) CA9CA1CA2CA12CA14
SCHEMBL13012829 0.81 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL14817386 0.81 CA9 (0.52) CA9CA1CA2CA12CA14

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