SCHEMBL19227146

SCHEMBL19227146

CNc1nc(Nc2cc(S(=O)(=O)O)ccc2C)nc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PTK2 Q05397 2/20 0.39
POLB P06746 1/20 0.37
SNCA P37840 1/20 0.36
CA3 P07451 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9010642 0.77 CA12 (0.46) CA1CA2CA9CA12CA5A
SCHEMBL9009746 0.77 CA12 (0.46) CA1CA2CA9CA12CA4
SCHEMBL16198903 0.74 CYP1A2 (0.47) CA1CA2CA9POLBALDH1A1
SCHEMBL10485968 0.73 SNCA (0.44) CA1CA2CA9CA12POLB
SCHEMBL21325886 0.73 CA1 (0.43) CA1CA2CA9CA12CA4
SCHEMBL15255509 0.73 RAB9A (0.48) CA1CA2CA9CA12CA14
SCHEMBL13722809 0.72 CA1 (0.52) CA1CA2CA9CA12CA4
SCHEMBL16063643 0.72 CA1 (0.45) CA1CA2CA9CA12CA4
SCHEMBL16063642 0.72 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL10174718 0.72 SNCA (0.56) CA1CA2CA9SNCAALDH1A1

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
EP-2650334-B1 INK, INK CARTRIDGE AND INKJET RECORDING METHOD CANON KK (JP) 2017-08-09 EP disclosed