SCHEMBL8625655

SCHEMBL8625655

CCOCCCOc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
PLA2G4B P0C869 1/20 0.47
KDM4E B2RXH2 4/20 0.46
DTYMK P23919 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43
PTPN11 Q06124 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL8381314 0.89 MAPT (0.56) MAPTALDH1A1LMNAPLA2G4BKDM4E
SCHEMBL2155062 0.87 MAPT (0.63) MAPTALDH1A1LMNAPLA2G4BKDM4E
SCHEMBL8872227 0.86 MAPT (0.61) MAPTALDH1A1LMNAKDM4EDTYMK
SCHEMBL8628560 0.86 PTPN11 (0.60) MAPTPLA2G4BAKR1C3AKR1C2AKR1C1
SCHEMBL8699678 0.84 MAPT (0.43) MAPTALDH1A1LMNAPLA2G4BKDM4E
SCHEMBL28528554 0.83 KDM4E (0.49) MAPTALDH1A1LMNAKDM4EDTYMK
SCHEMBL30686065 0.83 KDM4E (0.49) MAPTALDH1A1LMNAKDM4EDTYMK
SCHEMBL8633004 0.83 MAPT (0.42) MAPTALDH1A1LMNAPLA2G4BKDM4E
SCHEMBL1749050 0.79 PLA2G4B (0.53) MAPTALDH1A1LMNAPLA2G4BKMT2A
SCHEMBL26343197 0.79 DTYMK (0.50) MAPTALDH1A1LMNAKDM4EDTYMK

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
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