SCHEMBL10168979

SCHEMBL10168979

Cc1nc(NCc2ccc(S(=O)(=O)O)cc2)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 13/20 0.55
KCNH3 Q9ULD8 4/20 0.51
CA1 P00915 12/20 0.48
CA2 P00918 12/20 0.48
CA12 O43570 5/20 0.47
CA14 Q9ULX7 5/20 0.47

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
SCHEMBL10169005 0.94 KCNH3 (0.57) CA9KCNH3CA1CA2CA12
SCHEMBL10168989 0.88 PDE5A (0.46) CA9KCNH3CA1CA2
SCHEMBL13545623 0.85 SNCA (0.51) CA9CA1CA2CA12CA14
SCHEMBL1754842 0.84 CA9 (0.57) CA9KCNH3CA1CA2CA12
SCHEMBL10169008 0.84 CA1 (0.52) CA9KCNH3CA1CA2CA12
SCHEMBL10168986 0.84 CA9 (0.50) CA9KCNH3CA1CA2CA12
SCHEMBL14817387 0.82 CA9 (0.48) CA9KCNH3CA1CA2CA12
SCHEMBL10168983 0.80 PDE5A (0.53) KCNH3
SCHEMBL12653850 0.80 CA9 (0.47) CA9KCNH3CA1CA2CA12
SCHEMBL10057478 0.79 CA9 (0.57) 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 2 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