SCHEMBL6566097

SCHEMBL6566097

Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.38
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TTR P02766 1/20 0.34
PPOX P50336 1/20 0.34
MAPT P10636 5/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6566114 0.87 S1PR4 (0.41) S1PR4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL6564034 0.81 MEN1 (0.46) ALDH1A1HPGDCYP3A4TDP1TSHR
SCHEMBL8630500 0.79 HPD (0.43) S1PR4ALDH1A1CYP3A4TDP1MEN1
SCHEMBL6567450 0.77 LMNA (0.34) ALDH1A1HPGDCYP3A4TDP1MEN1
SCHEMBL27625069 0.74 S1PR4 (0.48) S1PR4ALDH1A1HPGDCYP3A4KMT2A
SCHEMBL3168592 0.74 S1PR4 (0.51) S1PR4ALDH1A1HPGDCYP3A4MEN1
SCHEMBL9508095 0.74 TDP1 (0.47) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL9732941 0.73 ALDH1A1 (0.46) S1PR4ALDH1A1HPGDCYP3A4TDP1
SCHEMBL23909079 0.72 CNR2 (0.41) S1PR4ALDH1A1MEN1KMT2AMAPT
SCHEMBL9616205 0.71 TDP1 (0.41) S1PR4ALDH1A1HPGDCYP3A4TDP1

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 2 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
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