SCHEMBL6567218

SCHEMBL6567218

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN11 Q06124 1/20 0.43
PLA2G4B P0C869 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
THRA P10827 1/20 0.41
PPARD Q03181 1/20 0.41
FAAH O00519 2/20 0.41
GPBAR1 Q8TDU6 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
SCHEMBL6566272 0.97 MEN1 (0.51) PLA2G2DMEN1HSP90AA1KMT2APPARG
SCHEMBL8630299 0.85 PLA2G2D (0.50) PLA2G2DMEN1HSP90AA1KMT2APTPN11
SCHEMBL6564087 0.84 PLA2G2D (0.49) PLA2G2DMEN1HSP90AA1KMT2APTPN11
SCHEMBL8629309 0.82 MEN1 (0.53) PLA2G2DMEN1HSP90AA1KMT2APTPN11
SCHEMBL8629057 0.81 MEN1 (0.52) PLA2G2DMEN1HSP90AA1KMT2APPARG
SCHEMBL6566128 0.80 HDAC8 (0.49) MEN1HSP90AA1KMT2APPARGHDAC8
SCHEMBL6566120 0.79 HTT (0.59) MEN1KMT2A
SCHEMBL6567159 0.78 PLA2G2D (0.47) PLA2G2DMEN1HSP90AA1KMT2AHDAC8
SCHEMBL8629713 0.78 KMT2A (0.53) MEN1HSP90AA1KMT2APPARGPPARA
SCHEMBL8628372 0.77 MEN1 (0.52) MEN1HSP90AA1KMT2APPARGPPARA

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
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
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