SCHEMBL8630299

SCHEMBL8630299

CCCCCCCCOc1ccc2nc(C(=O)O)c(OCc3ccccc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN11 Q06124 2/20 0.47
PLA2G4B P0C869 5/20 0.44
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8629309 0.97 MEN1 (0.53) PLA2G2DMEN1HSP90AA1KMT2APTPN11
SCHEMBL6564087 0.93 PLA2G2D (0.49) PLA2G2DMEN1HSP90AA1KMT2APTPN11
SCHEMBL8629713 0.92 KMT2A (0.53) MEN1HSP90AA1KMT2ADHODHHDAC8
SCHEMBL8628704 0.89 KMT2A (0.53) MEN1HSP90AA1KMT2AHDAC8
SCHEMBL8629057 0.89 MEN1 (0.52) PLA2G2DMEN1HSP90AA1KMT2ADHODH
SCHEMBL6567218 0.85 PLA2G2D (0.48) PLA2G2DMEN1HSP90AA1KMT2APTPN11
SCHEMBL6567159 0.85 PLA2G2D (0.47) PLA2G2DMEN1HSP90AA1KMT2AHDAC8
SCHEMBL8628372 0.85 MEN1 (0.52) MEN1HSP90AA1KMT2AHDAC8
SCHEMBL7744003 0.84 HDAC8 (0.57) MEN1HSP90AA1KMT2AHDAC8
SCHEMBL8629707 0.82 MCL1 (0.51) MEN1HSP90AA1KMT2AHDAC8

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