SCHEMBL8287263

SCHEMBL8287263

COC(=O)CCc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GAA P10253 5/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CSF1R P07333 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
POLB P06746 1/20 0.34
PDE11A Q9HCR9 1/20 0.33
GFER P55789 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL8287259 0.90 GAA (0.34) TSHRGAAALDH1A1MEN1MAPT
SCHEMBL8286455 0.90 PLA2G4A (0.37) CCNCCDK8GAACSF1RCDK4
SCHEMBL8286552 0.88 CCNC (0.37) CCNCCDK8GAAALDH1A1L3MBTL1
SCHEMBL8287273 0.88 PDE11A (0.34) GAAALDH1A1CSF1RCDK4CCND1
SCHEMBL8287270 0.87 HSD11B1 (0.40) GAAMAPTPDE11AGFERSMN1; SMN2
SCHEMBL8286560 0.87 MAPT (0.39) GAAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8286187 0.85 GAA (0.36) TSHRGAAALDH1A1MEN1MAPT
SCHEMBL8287501 0.84 GAA (0.39) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL8286557 0.84 NPC1 (0.40) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL8286554 0.83 ALDH1A1 (0.35) TSHRGAAALDH1A1MEN1MAPT

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