SCHEMBL6564034

SCHEMBL6564034

O=C(O)c1cc(OCC(F)(F)C(F)(F)C(F)(F)F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35
DTYMK P23919 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.34
EIF4E P06730 2/20 0.34
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32
AKR1B1 P15121 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6565237 0.88 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8630500 0.85 HPD (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6567450 0.83 LMNA (0.34) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6566097 0.81 S1PR4 (0.38) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11611705 0.73 MAPT (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6567436 0.71 MEN1 (0.37) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3902768 0.71 DTYMK (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9142736 0.69 SMN1; SMN2 (0.42) MEN1KMT2AMAPTMRGPRX4HTT
SCHEMBL9616205 0.69 TDP1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7752178 0.69 DTYMK (0.46) MEN1KMT2ATDP1TTRPPOX

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