SCHEMBL8628964

SCHEMBL8628964

O=C(O)c1cc(OCC(F)(F)C(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DTYMK P23919 1/20 0.45
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 4/20 0.39
CASP6 P55212 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1B1 P15121 2/20 0.38
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
AKR1B10 O60218 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
SCHEMBL28255788 0.87 MEN1 (0.57) KMT2AMEN1TTRPPOXTDP1
SCHEMBL8626375 0.86 USP2 (0.47) KMT2AMEN1TTRPPOXTDP1
SCHEMBL8627855 0.85 HPD (0.45) KMT2AMEN1TTRPPOXTDP1
SCHEMBL8627853 0.82 AR (0.40) KMT2AMEN1TTRPPOXTDP1
SCHEMBL474128 0.82 DTYMK (0.52) KMT2AMEN1TTRPPOXTDP1
SCHEMBL8628490 0.81 MAPT (0.51) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL7460630 0.81 DTYMK (0.48) KMT2AMEN1TTRPPOXTDP1
SCHEMBL30032710 0.78 DTYMK (0.54) KMT2AMEN1TTRPPOXTDP1
SCHEMBL4406337 0.78 ALDH1A1 (0.45) KMT2AMEN1TDP1HTTSMN1; SMN2
SCHEMBL3158027 0.77 MEN1 (0.57) KMT2AMEN1TTRPPOXTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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