SCHEMBL6565237

SCHEMBL6565237

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
MRGPRX4 Q96LA9 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
EIF4E P06730 1/20 0.38
DTYMK P23919 1/20 0.38

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
SCHEMBL6564034 0.88 MEN1 (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6567436 0.82 MEN1 (0.37) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9616205 0.81 TDP1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6566114 0.80 S1PR4 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5563833 0.80 MAPT (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1968386 0.77 ALDH1A1 (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11611705 0.77 MAPT (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28255788 0.76 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3902768 0.75 DTYMK (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1487907 0.75 KDM4E (0.51) MEN1KMT2ALMNAMAPTHTT

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