SCHEMBL6564097

SCHEMBL6564097

COc1cccc(Oc2ccc3nc(C(C)=O)c(OCc4ccccc4)cc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.50
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 3/20 0.48
MAOB P27338 2/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
THRB P10828 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PPARG P37231 1/20 0.44
GAA P10253 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 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
SCHEMBL6567304 0.94 HDAC8 (0.56) HDAC8MAPTSMN1; SMN2HTTMAOB
SCHEMBL6566122 0.93 HDAC8 (0.51) HDAC8MAPTSMN1; SMN2HTTMAOB
SCHEMBL6567153 0.86 MAOB (0.48) MAPTHTTMAOBKDM4EALDH1A1
SCHEMBL7744003 0.86 HDAC8 (0.57) HDAC8MAPTSMN1; SMN2HTTMAOB
SCHEMBL6566128 0.84 HDAC8 (0.49) HDAC8MAPTSMN1; SMN2HTTMAOB
SCHEMBL6566241 0.84 CYP1A2 (0.45) HDAC8MAPTSMN1; SMN2HTTKDM4E
SCHEMBL8625477 0.83 MCL1 (0.48) HDAC8SMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL6564103 0.83 MAOB (0.48) HDAC8MAPTSMN1; SMN2HTTMAOB
SCHEMBL8628366 0.83 MCL1 (0.47) HDAC8MAPTSMN1; SMN2HTTMAOB
SCHEMBL8628372 0.82 MEN1 (0.52) HDAC8SMN1; SMN2HTTMAOBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP 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
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed