SCHEMBL10168989

SCHEMBL10168989

Cc1nc(NCc2ccc(S(=O)(=O)O)cc2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.46
CA9 Q16790 4/20 0.44
CRHR1 P34998 1/20 0.44
TNNI3K Q59H18 1/20 0.44
KCNH3 Q9ULD8 3/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TYK2 P29597 2/20 0.42
CSF1R P07333 1/20 0.42
SNCA P37840 1/20 0.41
GAA P10253 1/20 0.41
NUAK1 O60285 1/20 0.41
STK16 O75716 1/20 0.41
NTRK1 P04629 1/20 0.41
CSNK2A2 P19784 1/20 0.41
BMPR2 Q13873 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
NUAK2 Q9H093 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41

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
SCHEMBL10168983 0.93 PDE5A (0.53) PDE5AKCNH3GAA
SCHEMBL10168999 0.90 VCP (0.47) PDE5ACRHR1TNNI3KKCNH3GAA
SCHEMBL10168979 0.88 CA9 (0.55) CA9KCNH3CA1CA2
SCHEMBL10168992 0.86 PDE5A (0.42) PDE5ACA9KCNH3CA1CA2
SCHEMBL10169005 0.84 KCNH3 (0.57) PDE5ACA9KCNH3CA1CA2
SCHEMBL9924664 0.83 PDE5A (0.53) PDE5ATNNI3KKCNH3SNCA
SCHEMBL10168975 0.82 KCNH2 (0.49) TNNI3KGAA
SCHEMBL10490862 0.81 SNCA (0.54) PDE5ACA9TNNI3KCA1CA2
SCHEMBL10174729 0.80 TNNI3K (0.46) CA9TNNI3KCA1CA2SNCA
SCHEMBL15984415 0.80 CA1 (0.62) PDE5ACA9KCNH3CA1CA2

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