SCHEMBL8629707

SCHEMBL8629707

CC(C)Oc1ccc2nc(C(=O)O)c(OCc3ccccc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EDNRA P25101 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
GCK P35557 1/20 0.44
PTGDR Q13258 1/20 0.42
SRD5A2 P31213 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8628366 0.92 MCL1 (0.47) MCL1MEN1HSP90AA1KMT2ASTAT3
SCHEMBL7744003 0.88 HDAC8 (0.57) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8625477 0.86 MCL1 (0.48) MCL1MEN1HSP90AA1KMT2ASTAT3
SCHEMBL8629713 0.85 KMT2A (0.53) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8629309 0.85 MEN1 (0.53) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL6567471 0.84 KMT2A (0.48) MCL1MEN1HSP90AA1KMT2AL3MBTL1
SCHEMBL7746386 0.83 STAT3 (0.52) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8628704 0.82 KMT2A (0.53) MEN1HSP90AA1KMT2ASTAT3HTT
SCHEMBL8630299 0.82 PLA2G2D (0.50) MEN1HSP90AA1KMT2AHDAC8
SCHEMBL6566122 0.82 HDAC8 (0.51) MEN1HSP90AA1KMT2AHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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