SCHEMBL10169004

SCHEMBL10169004

CS(=O)(=O)NCCNc1nc(NCc2ccccc2)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.51
CA9 Q16790 6/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 3/20 0.46
CA14 Q9ULX7 2/20 0.46
PDE5A O76074 3/20 0.46
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
MERTK Q12866 1/20 0.45
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
DDX3X O00571 1/20 0.43

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
SCHEMBL10168986 0.94 CA9 (0.50) KCNH3CA9CA1CA2CA12
SCHEMBL9924663 0.88 PDE5A (0.49) KCNH3PDE5ARECQLMCL1
SCHEMBL23746641 0.86 CA9 (0.53) CA9CA1CA2CA12CA14
SCHEMBL10168992 0.86 PDE5A (0.42) KCNH3CA9CA1CA2CA12
SCHEMBL10169010 0.85 CA1 (0.49) KCNH3CA9CA1CA2CA12
SCHEMBL10169005 0.85 KCNH3 (0.57) KCNH3CA9CA1CA2CA12
SCHEMBL13705645 0.84 CA1 (0.46) KCNH3CA9CA1CA2CA12
SCHEMBL13705656 0.84 SNCA (0.52) KCNH3CA9CA1CA2CA12
SCHEMBL12653850 0.83 CA9 (0.47) KCNH3CA9CA1CA2CA12
SCHEMBL10168998 0.83 GBA1 (0.41) KCNH3CA9CA1CA2CA12

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