SCHEMBL6567283

SCHEMBL6567283

O=C(O)c1cc(Oc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
TTR P02766 1/20 0.68
PPOX P50336 1/20 0.68
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
AKR1B1 P15121 2/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C1 Q04828 2/20 0.51
MPO P05164 1/20 0.49
PYGL P06737 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SERPINE1 P05121 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FBP1 P09467 1/20 0.46
DTYMK P23919 1/20 0.45
GRIK1 P39086 1/20 0.44

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
SCHEMBL11147168 0.88 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768812 0.88 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL25245711 0.87 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10786867 0.84 TDP1 (0.81) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10788540 0.84 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8629336 0.84 HPD (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3889423 0.84 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10669894 0.82 TDP1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10673512 0.82 TDP1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38930 0.82 TDP1 (0.78) 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