SCHEMBL6567153

SCHEMBL6567153

CC(=O)c1nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
PPARG P37231 3/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALOX5 P09917 1/20 0.45
PSEN1 P49768 1/20 0.45
CACNA1B Q00975 2/20 0.44
NR4A2 P43354 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK14 Q16539 1/20 0.43
PPIA P62937 1/20 0.43
POLB P06746 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL8628913 0.92 MRGPRX4 (0.50) MAOBPPARGMAPTMRGPRX4ALOX5
SCHEMBL6564097 0.86 HDAC8 (0.50) MAOBPPARGMAPTHTTMRGPRX4
SCHEMBL8630092 0.85 MAPK14 (0.45) PPARGL3MBTL1MRGPRX4CACNA1BNR4A2
SCHEMBL6567160 0.85 MAOB (0.47) MAOBPPARGMAPTHTTL3MBTL1
SCHEMBL6567304 0.81 HDAC8 (0.56) MAOBMAPTHTTKDM4EALDH1A1
SCHEMBL6566230 0.80 MAPT (0.46) MAOBPPARGMAPTHTTL3MBTL1
SCHEMBL8625477 0.80 MCL1 (0.48) PPARGHTTMRGPRX4NR4A2KDM4E
SCHEMBL8629308 0.80 MEN1 (0.45) MAOBPPARGHTTALOX5PSEN1
SCHEMBL8628366 0.79 MCL1 (0.47) MAOBPPARGMAPTHTTL3MBTL1
SCHEMBL6566122 0.79 HDAC8 (0.51) MAOBPPARGMAPTHTTMRGPRX4

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 4 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
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US 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