SCHEMBL23746641

SCHEMBL23746641

CS(=O)(=O)NCCNc1nc(N)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 20/20 0.53
CA1 P00915 19/20 0.53
CA2 P00918 19/20 0.53
CA12 O43570 12/20 0.52
CA14 Q9ULX7 8/20 0.50
CA5A P35218 3/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 1/20 0.48
CA3 P07451 1/20 0.48
CA13 Q8N1Q1 1/20 0.43

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
SCHEMBL10168986 0.89 CA9 (0.50) CA9CA1CA2CA12CA14
SCHEMBL10169010 0.89 CA1 (0.49) CA9CA1CA2CA12CA14
SCHEMBL13705656 0.88 SNCA (0.52) CA9CA1CA2CA12CA14
SCHEMBL10198856 0.86 ROCK1 (0.41) CA9CA1CA2CA12CA14
SCHEMBL13705645 0.86 CA1 (0.46) CA9CA1CA2CA12CA14
SCHEMBL10169004 0.86 KCNH3 (0.51) CA9CA1CA2CA12CA14
SCHEMBL14817386 0.85 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL24139967 0.84 CA1 (0.45) CA9CA1CA2CA12CA14
SCHEMBL15804159 0.84 CA1 (0.40) CA9CA1CA2CA12CA14
SCHEMBL17655501 0.83 CA1 (0.39) 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-20210246324-A1 Ink Jet Ink Set, Ink Jet Recording Method, And Ink Jet Recording Apparatus SEIKO EPSON CORPORATION (JP) 2021-08-12 US disclosed