SCHEMBL29705221

SCHEMBL29705221

CCOC(=O)C(=CNc1ccc(Br)c(F)c1)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.62
NPSR1 Q6W5P4 6/20 0.59
MAPT P10636 7/20 0.52
KDM4E B2RXH2 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
S1PR4 O95977 1/20 0.46

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
SCHEMBL17241561 1.00 DHODH (0.62) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL17246311 0.94 DHODH (0.55) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL14341439 0.88 DHODH (0.67) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL10861648 0.88 DHODH (0.67) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL23953819 0.86 DHODH (0.45) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL13930268 0.85 DHODH (0.63) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL25357063 0.85 DHODH (0.58) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL11389721 0.84 DHODH (0.62) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL18987933 0.84 DHODH (0.62) DHODHNPSR1MAPTKDM4EL3MBTL1
SCHEMBL31080679 0.84 DHODH (0.62) DHODHNPSR1MAPTKDM4EL3MBTL1

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
CN-110431139-B Deuterated imidazo [4,5-c ] quinolin-2-one compounds and their use in treating cancer 阿斯利康(瑞典)有限公司 2022-07-05 CN disclosed