SCHEMBL10169005

SCHEMBL10169005

Cc1nc(NCc2ccccc2)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.57
GAA P10253 1/20 0.53
CA9 Q16790 2/20 0.49
AXL P30530 1/20 0.49
FLT3 P36888 1/20 0.49
MERTK Q12866 1/20 0.49
PDE5A O76074 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA14 Q9ULX7 1/20 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
SCHEMBL10168979 0.94 CA9 (0.55) KCNH3CA9CA12CA1CA2
SCHEMBL10168983 0.87 PDE5A (0.53) KCNH3GAAPDE5A
SCHEMBL10169004 0.85 KCNH3 (0.51) KCNH3CA9AXLFLT3MERTK
SCHEMBL10168989 0.84 PDE5A (0.46) KCNH3GAACA9PDE5ACA1
SCHEMBL13545623 0.82 SNCA (0.51) CA9CA12CA1CA2CA14
SCHEMBL10169008 0.81 CA1 (0.52) KCNH3CA9CA12CA1CA2
SCHEMBL10168994 0.81 GAA (0.46) KCNH3GAA
SCHEMBL1754842 0.79 CA9 (0.57) KCNH3CA9CA12CA1CA2
SCHEMBL10168986 0.78 CA9 (0.50) KCNH3CA9CA12CA1CA2
SCHEMBL9189617 0.78 CA1 (0.70) GAACA9CA12CA1CA2

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