SCHEMBL8287142

SCHEMBL8287142

Cc1cc(Nc2ccc(C(C)C)cc2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
DHFR P00374 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5871799 0.91 PDE11A (0.50) PDE11ATP53LMNAMAPTPOLB
SCHEMBL8287116 0.89 PDE11A (0.48) PDE11ATP53LMNAMAPTALDH1A1
SCHEMBL8285161 0.89 PDE11A (0.47) PDE11ATP53LMNAMAPTPOLB
SCHEMBL8287107 0.87 PDE11A (0.48) PDE11ATP53LMNAMAPTPOLB
SCHEMBL8287109 0.85 MAPT (0.51) PDE11ATP53LMNAMAPTPOLB
SCHEMBL8287118 0.85 PDE11A (0.46) PDE11ALMNAMAPTRXFP1POLB
SCHEMBL5871751 0.82 PDE11A (0.48) PDE11ATP53LMNAMAPTPOLB
SCHEMBL8285163 0.82 POLB (0.50) PDE11ATP53LMNAMAPTPOLB
SCHEMBL8285218 0.81 PDE11A (0.46) PDE11ATP53LMNAMAPTPOLB
SCHEMBL5872118 0.81 PDE11A (0.46) PDE11ATP53LMNAMAPTPOLB

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