SCHEMBL6564098

SCHEMBL6564098

COc1ccc([N+](=O)[O-])c(C(=O)C(C(C)=O)C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C1 Q04828 2/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 5/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
RAF1 P04049 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPD P32754 1/20 0.43

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
SCHEMBL8630071 0.91 PIN1 (0.46) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL22065496 0.85 ALDH1A1 (0.49) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL8633063 0.84 SIRT6 (0.47) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL8628865 0.84 HPD (0.47) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL12326834 0.83 ALDH1A1 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL8630905 0.83 MAPT (0.50) AKR1C3AKR1C2AKR1C1ALDH1A1SMN1; SMN2
SCHEMBL16958207 0.82 AKR1C3 (0.50) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL269614 0.80 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL30580504 0.80 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL8629258 0.80 PLA2G4B (0.51) SMN1; SMN2MAPTMAPK1LMNAHPD

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