SCHEMBL6567436

SCHEMBL6567436

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 2/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AR P10275 2/20 0.34
HPD P32754 1/20 0.34
CCR6 P51684 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL6567450 0.91 LMNA (0.34) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6565237 0.82 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6566114 0.76 S1PR4 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9616205 0.74 TDP1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5563833 0.73 MAPT (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5563591 0.72 AAK1 (0.41) ALDH1A1MAPT
SCHEMBL6565407 0.72 HPGD (0.53) ALDH1A1RAB9AHTTPOLBCYP1A2
SCHEMBL6564212 0.71 MEN1 (0.40) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6564034 0.71 MEN1 (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8627853 0.71 AR (0.40) 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