SCHEMBL8628372

SCHEMBL8628372

CCCOc1ccc2nc(C(C)=O)c(OCc3ccccc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.52
MAOB P27338 5/20 0.45
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL8629057 0.96 MEN1 (0.52) MEN1KMT2AHSP90AA1MAOBPPARG
SCHEMBL6564087 0.93 PLA2G2D (0.49) MEN1KMT2AHSP90AA1MAOBHDAC8
SCHEMBL8629713 0.92 KMT2A (0.53) MEN1KMT2AHSP90AA1PPARGPPARD
SCHEMBL8627840 0.90 KMT2A (0.52) MEN1KMT2AHSP90AA1MAOBPPARG
SCHEMBL8629309 0.88 MEN1 (0.53) MEN1KMT2AHSP90AA1PPARGSTAT3
SCHEMBL6567304 0.87 HDAC8 (0.56) MEN1KMT2AHSP90AA1MAOBSTAT3
SCHEMBL8628366 0.85 MCL1 (0.47) MEN1KMT2AHSP90AA1MAOBPPARG
SCHEMBL8630299 0.85 PLA2G2D (0.50) MEN1KMT2AHSP90AA1HDAC8
SCHEMBL27464666 0.83 KMT2A (0.47) MEN1KMT2AHSP90AA1PPARGPPARD
SCHEMBL8628704 0.83 KMT2A (0.53) MEN1KMT2AHSP90AA1PPARGPPARD

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 5 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