SCHEMBL8629308

SCHEMBL8629308

CC(=O)c1nc2ccc(OCC(F)(F)C(F)F)cc2cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PPARG P37231 3/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL8626364 0.92 MEN1 (0.44) MEN1HSP90AA1KMT2ANPC1RAB9A
SCHEMBL8625735 0.89 MEN1 (0.42) MEN1HSP90AA1KMT2AMAOBNPC1
SCHEMBL27443154 0.86 MEN1 (0.40) MEN1HSP90AA1KMT2AMAOBNPC1
SCHEMBL8631264 0.85 KMT2A (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL8628366 0.82 MCL1 (0.47) MEN1HSP90AA1KMT2AMAOBSTAT3
SCHEMBL6567304 0.82 HDAC8 (0.56) MEN1HSP90AA1KMT2AMAOBNPC1
SCHEMBL8628372 0.81 MEN1 (0.52) MEN1HSP90AA1KMT2AMAOBNPC1
SCHEMBL8629057 0.81 MEN1 (0.52) MEN1HSP90AA1KMT2AMAOBSTAT3
SCHEMBL8751228 0.81 ALDH1A1 (0.41) MEN1KMT2AMAOBSTAT3HTT
SCHEMBL8628688 0.81 HTT (0.41) MEN1KMT2ARAB9AHTTSMN1; SMN2

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