SCHEMBL3944683

SCHEMBL3944683

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.60
NPSR1 Q6W5P4 5/20 0.54
MAPT P10636 7/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RECQL P46063 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL10861060 0.88 DHODH (0.65) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL2912643 0.87 MAPT (0.52) DHODHMAPTKDM4EMAPK1L3MBTL1
SCHEMBL10861648 0.87 DHODH (0.67) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL14066640 0.85 DHODH (0.65) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL15054367 0.84 DHODH (0.63) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL15054443 0.84 DHODH (0.59) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL21050681 0.83 DHODH (0.62) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL10861643 0.82 DHODH (0.60) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL13930268 0.82 DHODH (0.63) DHODHNPSR1MAPTKDM4EMAPK1
SCHEMBL15053680 0.81 DHODH (0.59) DHODHNPSR1MAPTKDM4EMAPK1

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
EP-2010496-A1 4-ANILINOQUINOLINE-3-CARBOXAMIDES AS CSF-1R KINASE INHIBITORS AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007119046-A1 4-ANILINOQUINOLINE-3-CARBOXAMIDES AS CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed