SCHEMBL8630494

SCHEMBL8630494

O=C(CNC(=O)c1nc2ccc(Oc3ccccc3)cc2cc1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EGLN1 Q9GZT9 7/20 0.46
HSP90AA1 P07900 1/20 0.42
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
BBOX1 O75936 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
FTO Q9C0B1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
STAMBP O95630 1/20 0.41

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
SCHEMBL6566241 0.93 CYP1A2 (0.45) SMN1; SMN2KMT2AMEN1L3MBTL1THRB
SCHEMBL8630092 0.91 MAPK14 (0.45) SMN1; SMN2KMT2AMEN1L3MBTL1EGLN1
SCHEMBL6567471 0.89 KMT2A (0.48) KMT2AMEN1L3MBTL1EGLN1HSP90AA1
SCHEMBL27464666 0.88 KMT2A (0.47) SMN1; SMN2KMT2AMEN1L3MBTL1HSP90AA1
SCHEMBL8632231 0.87 KMT2A (0.56) SMN1; SMN2KMT2AMEN1L3MBTL1GAA
SCHEMBL6567159 0.85 PLA2G2D (0.47) KMT2AMEN1L3MBTL1HSP90AA1MAPT
SCHEMBL6565058 0.85 KMT2A (0.47) KMT2AMEN1L3MBTL1HSP90AA1ALDH1A1
SCHEMBL8625913 0.85 KMT2A (0.48) SMN1; SMN2KMT2AMEN1L3MBTL1HSP90AA1
SCHEMBL8629721 0.85 KMT2A (0.48) KMT2AMEN1L3MBTL1GAAGLA
SCHEMBL8631264 0.85 KMT2A (0.44) SMN1; SMN2KMT2AMEN1L3MBTL1HSP90AA1

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