SCHEMBL9415889

SCHEMBL9415889

CCOC(=O)C(=CNc1ccc(Cn2cncn2)cc1)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.43
NPSR1 Q6W5P4 3/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTPN5 P54829 1/20 0.38
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 1/20 0.37
LMNA P02545 2/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9059091 0.91 DHODH (0.44) DHODHNPSR1HDAC1HDAC6PTPN5
SCHEMBL9057497 0.89 DHODH (0.38) DHODHNPSR1HDAC1HDAC6PTPN5
SCHEMBL8801294 0.84 DHODH (0.43) DHODHNPSR1HPGDL3MBTL1SMN1; SMN2
SCHEMBL9415871 0.82 DHODH (0.41) DHODHNPSR1HDAC1HDAC6HPGD
SCHEMBL10372641 0.82 DHODH (0.54) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL10372640 0.82 DHODH (0.54) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL8802130 0.82 NPSR1 (0.44) DHODHNPSR1HDAC1HDAC6PTPN5
SCHEMBL9415886 0.82 DHODH (0.44) DHODHNPSR1HDAC1HDAC6L3MBTL1
SCHEMBL10374437 0.81 DHODH (0.55) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9870075 0.81 DHODH (0.55) DHODHNPSR1HPGDL3MBTL1MAPT

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
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed