SCHEMBL8286457

SCHEMBL8286457

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 4/20 0.37
PDE11A Q9HCR9 1/20 0.37
KCNJ5 P48544 4/20 0.36
KCNJ3 P48549 4/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
LOX P28300 1/20 0.33

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
SCHEMBL8286076 0.91 PDE11A (0.39) LMNAHTTNPSR1SMN1; SMN2POLB
SCHEMBL8286426 0.89 PDE11A (0.39) LMNAHTTNPSR1SMN1; SMN2GSK3B
SCHEMBL8286141 0.87 PDE11A (0.39) LMNAHTTNPSR1SMN1; SMN2MEN1
SCHEMBL8286140 0.86 PDE11A (0.37) LMNAHTTNPSR1SMN1; SMN2MEN1
SCHEMBL8286424 0.85 MAT2A (0.41) LMNAHTTNPSR1SMN1; SMN2MEN1
SCHEMBL5872270 0.85 PDE11A (0.44) LMNAHTTNPSR1SMN1; SMN2MEN1
SCHEMBL8286083 0.84 PDE11A (0.38) LMNAHTTNPSR1SMN1; SMN2L3MBTL1
SCHEMBL8286078 0.84 HTR6 (0.41) LMNAHTTNPSR1SMN1; SMN2MEN1
SCHEMBL8285339 0.83 KDM4E (0.46) LMNAHTTNPSR1MEN1POLB
SCHEMBL8287983 0.83 PDE11A (0.39) LMNAHTTNPSR1SMN1; SMN2MEN1

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