SCHEMBL8629309

SCHEMBL8629309

CCCCOc1ccc2nc(C(=O)O)c(OCc3ccccc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.53
DHODH Q02127 1/20 0.47
PLA2G2D Q9UNK4 1/20 0.46
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRD5A2 P31213 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PPARG P37231 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8630299 0.97 PLA2G2D (0.50) MEN1HSP90AA1KMT2ADHODHPLA2G2D
SCHEMBL8629713 0.95 KMT2A (0.53) MEN1HSP90AA1KMT2ADHODHSTAT3
SCHEMBL8628704 0.92 KMT2A (0.53) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8629057 0.92 MEN1 (0.52) MEN1HSP90AA1KMT2ADHODHPLA2G2D
SCHEMBL6564087 0.89 PLA2G2D (0.49) MEN1HSP90AA1KMT2APLA2G2DHDAC8
SCHEMBL8628372 0.88 MEN1 (0.52) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL7744003 0.87 HDAC8 (0.57) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8629707 0.85 MCL1 (0.51) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8625913 0.85 KMT2A (0.48) MEN1HSP90AA1KMT2APLA2G2DHTT
SCHEMBL8627840 0.85 KMT2A (0.52) MEN1HSP90AA1KMT2ASTAT3HTT

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