SCHEMBL8358804

SCHEMBL8358804

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.41
GAA P10253 8/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
GFER P55789 1/20 0.39
PDE11A Q9HCR9 1/20 0.38
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8286535 0.91 OPRK1 (0.45) MAT2AGAAHPGDMAPK1GFER
SCHEMBL5871913 0.89 ALDH1A1 (0.42) MAT2AGAAHPGDMAPK1HTT
SCHEMBL8287944 0.87 GAA (0.43) GAAHPGDMAPK1GFERPDE11A
SCHEMBL8286558 0.86 PDE11A (0.46) GAAHPGDPDE11AHTTMAPT
SCHEMBL8285272 0.85 PDE11A (0.37) MAT2AGAAHPGDMAPK1PDE11A
SCHEMBL8285359 0.84 KDM4E (0.47) GAAHPGDMAPK1PDE11AHTT
SCHEMBL8286423 0.84 KCNH3 (0.42) MAT2AGAAHPGDMAPK1PDE11A
SCHEMBL8285358 0.84 GAA (0.43) GAAHPGDGFERPDE11AHTT
SCHEMBL5871645 0.82 GAA (0.42) GAAHPGDMAPK1GFERPDE11A
SCHEMBL8287209 0.82 PLA2G4A (0.38) GAAHPGDMAPK1GFERPDE11A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed