SCHEMBL8287553

SCHEMBL8287553

Cc1cc2c(c(Sc3ccsc3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.36
GAA P10253 9/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GSK3B P49841 3/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GFER P55789 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL8287549 0.90 PDE11A (0.39) PDE11AGAAHPGDMAPK1HTT
SCHEMBL8287151 0.83 PDE11A (0.42) PDE11AGAAHPGDMAPK1HTT
SCHEMBL7036674 0.81 ALDH1A1 (0.41) PDE11AGAAHPGDMAPK1HTT
SCHEMBL8287221 0.79 APLNR (0.42) PDE11AGAAHPGDMAPK1HTT
SCHEMBL5872108 0.79 GAA (0.44) PDE11AGAAHPGDMAPK1HTT
SCHEMBL5872104 0.78 GAA (0.45) PDE11AGAAHPGDMAPK1SMN1; SMN2
SCHEMBL8287944 0.78 GAA (0.43) PDE11AGAAHPGDMAPK1HTT
SCHEMBL7046873 0.78 PDE11A (0.37) PDE11AGAAHPGDMAPK1HTT
SCHEMBL8286573 0.77 GAA (0.42) PDE11AGAAHPGDMAPK1HTT
SCHEMBL8287934 0.77 MAT2A (0.43) PDE11AGAAHPGDMAPK1HTT

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed