SCHEMBL5334611

SCHEMBL5334611

CCOC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(Cc2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HIF1A Q16665 3/20 0.52
RECQL P46063 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.51
TDP2 O95551 1/20 0.48
NSD2 O96028 1/20 0.48
PLCG1 P19174 1/20 0.48
PAX8 Q06710 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL15966795 0.86 ALDH1A1 (0.67) KDM4EALDH1A1LMNARECQLGAA
SCHEMBL1522936 0.85 KDM4E (0.81) KDM4EALDH1A1LMNAHIF1ARECQL
SCHEMBL5124064 0.81 ALDH1A1 (0.63) KDM4EALDH1A1LMNARECQLGAA
SCHEMBL5331127 0.81 KDM4E (0.58) KDM4EALDH1A1LMNARECQLGAA
SCHEMBL4754692 0.81 ALDH1A1 (0.65) KDM4EALDH1A1LMNARECQLGAA
SCHEMBL5471793 0.81 KDM4E (0.61) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL8245786 0.81 HIF1A (0.75) HIF1A
SCHEMBL5529505 0.80 ALDH1A1 (0.81) KDM4EALDH1A1LMNARECQLGAA
SCHEMBL14607234 0.78 ALDH1A1 (0.62) KDM4EALDH1A1LMNARECQLGAA
SCHEMBL7832109 0.77 KDM4E (0.58) KDM4EALDH1A1LMNARECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed