SCHEMBL10273544

SCHEMBL10273544

NCc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 17/20 0.52
CA1 P00915 16/20 0.52
CA2 P00918 16/20 0.52
CA12 O43570 11/20 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 0.40
KCNH3 Q9ULD8 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13012829 0.90 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL16213864 0.88 CA1 (0.53) CA9CA1CA2CA12CA14
SCHEMBL14817386 0.88 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL15984417 0.85 CA1 (0.66) CA9CA1CA2CA12CA14
SCHEMBL10169008 0.85 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL14817402 0.85 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL17033145 0.84 CA9 (0.49) CA9CA1CA2CA12CA14
SCHEMBL15836255 0.83 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL13475969 0.83 CA1 (0.50) CA9CA1CA2CA12CA14
SCHEMBL12215058 0.83 CA1 (0.44) 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
EP-2441806-A1 PORPHYRAZINE DYE, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed