SCHEMBL6565407

SCHEMBL6565407

CC(=O)CC(=O)CC(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL8489227 0.93 HPGD (0.57) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL16637468 0.81 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL6564011 0.80 CTSD (0.55) HPGDCYP2C19CYP1A2CYP3A4SMN1; SMN2
SCHEMBL11405917 0.79 ERCC5 (0.61) HPGDCYP2C19CYP1A2CYP3A4POLB
SCHEMBL29758067 0.79 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL848335 0.79 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL31245529 0.78 HPGD (0.53) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL8137810 0.78 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL8489269 0.77 CES2 (0.52) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL8491070 0.77 TSHR (0.51) HPGDCYP3A4ALDH1A1

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 7 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
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN 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
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN 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