SCHEMBL853329

SCHEMBL853329

CNC(=O)c1ccc2ncc(C(=O)OCCc3ncc[nH]3)c(Nc3ccc(OC)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
GAA P10253 3/20 0.48
MEN1 O00255 1/20 0.48
SLC2A1 P11166 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.47
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 2/20 0.46
CLK1 P49759 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
MC4R P32245 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL402967 0.85 PAX8 (0.54) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL3659497 0.85 PAX8 (0.58) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL403648 0.84 PAX8 (0.68) PAX8GAAMEN1SLC2A1KMT2A
Hydrochloric Acid SCHEMBL15093957 0.83 PAX8 (0.70) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL3657702 0.83 PAX8 (0.57) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL402202 0.81 PAX8 (0.55) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL401911 0.81 TBXAS1 (0.52) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL401857 0.80 PAX8 (0.56) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL402964 0.79 PAX8 (0.53) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL402958 0.79 GAA (0.60) GAAMEN1SLC2A1KMT2ATP53

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-2432764-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS ClanoTech AB (SE) 2012-03-28 EP disclosed
WO-2010133669-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2010-11-25 WO disclosed