SCHEMBL6567529

SCHEMBL6567529

CCCCCCCCOc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
PLA2G4B P0C869 2/20 0.51
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
NR5A1 Q13285 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTPN11 Q06124 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
SCHEMBL8631234 0.96 MAPT (0.57) MAPTPLA2G4BALDH1A1LMNATDP1
SCHEMBL7717015 0.92 MAPT (0.51) MAPTPLA2G4BALDH1A1LMNAKMT2A
SCHEMBL20958135 0.91 MAPT (0.45) MAPTPLA2G4BESR1ALDH1A1LMNA
SCHEMBL20958109 0.91 MAPT (0.45) MAPTPLA2G4BESR1ALDH1A1LMNA
SCHEMBL6565692 0.90 MAPT (0.65) MAPTALDH1A1LMNATDP1MAPK1
SCHEMBL258799 0.89 ALDH1A1 (0.51) MAPTPLA2G4BESR1ALDH1A1LMNA
SCHEMBL1589463 0.89 MAPT (0.50) MAPTALDH1A1LMNATDP1MAPK1
SCHEMBL21642649 0.85 MAPT (0.46) MAPTPLA2G4BALDH1A1LMNATDP1
SCHEMBL16162779 0.85 MAPT (0.47) MAPTALDH1A1LMNATDP1MAPK1
SCHEMBL5005582 0.84 MAPT (0.63) MAPTALDH1A1LMNAMAPK1KMT2A

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