SCHEMBL9415883

SCHEMBL9415883

CCOC(=O)C(=CNc1ccc(Cn2nccn2)cc1)C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.47
NPSR1 Q6W5P4 5/20 0.46
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9415865 0.90 DHODH (0.49) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9059091 0.85 DHODH (0.44) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9415867 0.85 DHODH (0.44) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9415862 0.83 DHODH (0.47) DHODHNPSR1L3MBTL1MAPTKDM4E
SCHEMBL9057947 0.83 SMN1; SMN2 (0.49) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL9415877 0.77 DHODH (0.44) DHODHNPSR1L3MBTL1MAPTKDM4E
SCHEMBL8801294 0.76 DHODH (0.43) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9415889 0.76 DHODH (0.43) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9381551 0.76 DHODH (0.54) DHODHNPSR1HPGDL3MBTL1MAPT
SCHEMBL9381550 0.76 DHODH (0.54) 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