SCHEMBL6567450

SCHEMBL6567450

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TTR P02766 1/20 0.32
PPOX P50336 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GALR2 O43603 1/20 0.30
MITF O75030 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
CCR6 P51684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6567436 0.91 MEN1 (0.37) LMNATDP1MEN1KMT2ATTR
SCHEMBL6564034 0.83 MEN1 (0.46) LMNATDP1MEN1KMT2ATTR
SCHEMBL8630500 0.82 HPD (0.43) LMNATDP1MEN1KMT2ATTR
SCHEMBL6566097 0.77 S1PR4 (0.38) LMNATDP1MEN1KMT2ATTR
SCHEMBL6565237 0.73 MEN1 (0.52) LMNATDP1MEN1KMT2ATTR
SCHEMBL8626514 0.73 USP2 (0.41) LMNAALDH1A1MAPT
SCHEMBL6565407 0.68 HPGD (0.53) RAB9APOLBHTTNPC1CYP3A4
SCHEMBL6564212 0.68 MEN1 (0.40) LMNATDP1MEN1KMT2ATTR
SCHEMBL8627853 0.67 AR (0.40) TDP1MEN1KMT2ATTRPPOX
SCHEMBL6566114 0.67 S1PR4 (0.41) LMNATDP1MEN1KMT2ATTR

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