SCHEMBL10168983

SCHEMBL10168983

Cc1nc(NCc2ccccc2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.53
KCNH3 Q9ULD8 4/20 0.53
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
POLB P06746 1/20 0.46
SLC2A1 P11166 1/20 0.46

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
SCHEMBL10168989 0.93 PDE5A (0.46) PDE5AKCNH3GAA
SCHEMBL10168999 0.90 VCP (0.47) PDE5AKCNH3GAALMNAMAPT
SCHEMBL9924664 0.90 PDE5A (0.53) PDE5AKCNH3LMNAMAPTSMN1; SMN2
SCHEMBL10169005 0.87 KCNH3 (0.57) PDE5AKCNH3GAA
SCHEMBL9924663 0.86 PDE5A (0.49) PDE5AKCNH3LMNAMAPTSMN1; SMN2
SCHEMBL10168975 0.84 KCNH2 (0.49) GAALMNASMN1; SMN2HTT
SCHEMBL18421634 0.82 SNCA (0.62) PDE5AKCNH3GAAMAPTSMN1; SMN2
SCHEMBL10490862 0.81 SNCA (0.54) PDE5A
SCHEMBL10174729 0.80 TNNI3K (0.46) MAPT
SCHEMBL10168979 0.80 CA9 (0.55) KCNH3

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