SCHEMBL6567160

SCHEMBL6567160

CC(=O)c1nc2c(Oc3cccc(C(F)(F)F)c3)cccc2cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
PPIA P62937 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A2 P43354 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CACNA1B Q00975 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6564103 0.86 MAOB (0.48) MAOBMRGPRX4MAPTHTTKDM4E
SCHEMBL6567153 0.85 MAOB (0.48) MAOBMRGPRX4PPIAMAPTHTT
SCHEMBL6566232 0.81 MAPT (0.48) MAOBMAPTHTTL3MBTL1KDM4E
SCHEMBL6567309 0.80 MRGPRX4 (0.50) MAOBMRGPRX4MAPTHTTKDM4E
SCHEMBL8751228 0.78 ALDH1A1 (0.41) MAOBMRGPRX4MAPTHTTKDM4E
SCHEMBL8628913 0.77 MRGPRX4 (0.50) MAOBMRGPRX4PPIAMAPTNR4A2
SCHEMBL8751130 0.76 KDM4E (0.37) MAOBMRGPRX4MAPTHTTKDM4E
SCHEMBL6564091 0.75 MCHR1 (0.47) MRGPRX4MAPTPPARGPPARAKDM4E
SCHEMBL8632069 0.74 MAOB (0.48) MAOBMRGPRX4MAPTHTTL3MBTL1
SCHEMBL8508415 0.73 MAPT (0.52) MAOBMRGPRX4MAPTL3MBTL1NR4A2

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-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed