SCHEMBL10169010

SCHEMBL10169010

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.49
CA2 P00918 15/20 0.49
CA9 Q16790 15/20 0.49
CA12 O43570 10/20 0.48
CA14 Q9ULX7 8/20 0.46
CA5A P35218 3/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 1/20 0.45
CA3 P07451 1/20 0.45
CA13 Q8N1Q1 1/20 0.39
GBA1 P04062 1/20 0.39
KCNH3 Q9ULD8 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL23746641 0.89 CA9 (0.53) CA1CA2CA9CA12CA14
SCHEMBL13475969 0.89 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL12653850 0.89 CA9 (0.47) CA1CA2CA9CA12CA14
SCHEMBL10168986 0.88 CA9 (0.50) CA1CA2CA9CA12CA14
SCHEMBL13705656 0.87 SNCA (0.52) CA1CA2CA9CA12CA14
SCHEMBL14817386 0.86 CA9 (0.52) CA1CA2CA9CA12CA14
SCHEMBL10169008 0.86 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL15984417 0.86 CA1 (0.66) CA1CA2CA9CA12CA14
SCHEMBL14817402 0.86 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL13012818 0.86 GBA1 (0.41) CA1CA2CA9CA12GBA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
US-20120081457-A1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-04-05 US disclosed
US-7854797-B2 Porphyrazine coloring matter, ink, ink set, and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-21 US disclosed
US-20100112218-A1 NOVEL PORPHYRAZINE COLORING MATTER, INK, INK SET, AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-05-06 US disclosed