SCHEMBL8286380

SCHEMBL8286380

Cc1cc(CCC(=O)Nc2ccccc2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
SLC2A1 P11166 1/20 0.44
MAPT P10636 9/20 0.43
TP53 P04637 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CLK1 P49759 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8286391 0.92 PDE11A (0.44) PDE11ASLC2A1MAPTTP53RXFP1
SCHEMBL8285245 0.91 PDE11A (0.46) PDE11AMAPTMAPK1HTTALDH1A1
SCHEMBL8286376 0.90 PDE11A (0.45) PDE11AMAPTMAPK1HTTALDH1A1
SCHEMBL8286381 0.85 PDE11A (0.45) PDE11AMAPTMAPK1HTTALDH1A1
SCHEMBL8287884 0.85 TP53 (0.44) SLC2A1MAPTTP53RXFP1MAPK1
SCHEMBL8287467 0.84 PDE11A (0.45) PDE11ASLC2A1MAPTALDH1A1KDM4E
SCHEMBL8287533 0.83 SLC2A1 (0.44) SLC2A1MAPTTP53RXFP1MAPK1
SCHEMBL8287405 0.83 OPRK1 (0.53) PDE11AMAPTMAPK1ALDH1A1KDM4E
SCHEMBL8285248 0.83 PDE11A (0.46) PDE11AMAPTTP53MAPK1HTT
SCHEMBL8287417 0.82 HTT (0.47) PDE11AMAPTMAPK1HTTALDH1A1

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