SCHEMBL5331905

SCHEMBL5331905

CCOC(=O)c1c(O)c2ccccc2n(C(C)C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
KDM4E B2RXH2 6/20 0.70
HTT P42858 5/20 0.67
POLB P06746 2/20 0.67
RECQL P46063 1/20 0.66
LMNA P02545 2/20 0.63
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14848286 0.90 ALDH1A1 (0.60) ALDH1A1KDM4EHTTPOLBRECQL
SCHEMBL29943809 0.83 ALDH1A1 (0.76) ALDH1A1KDM4EHTTRECQLLMNA
SCHEMBL27031265 0.83 ALDH1A1 (0.76) ALDH1A1KDM4EHTTRECQLLMNA
SCHEMBL1061607 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHTTPOLBRECQL
SCHEMBL30099678 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHTTPOLBRECQL
SCHEMBL30198068 0.82 KDM4E (0.77) ALDH1A1KDM4EHTTRECQLLMNA
SCHEMBL5308778 0.82 KDM4E (0.77) ALDH1A1KDM4EHTTRECQLLMNA
SCHEMBL2383886 0.82 KDM4E (1.00) ALDH1A1KDM4EHTTRECQLLMNA
SCHEMBL38660347 0.80 KDM4E (0.86) ALDH1A1KDM4EHTTRECQLLMNA
SCHEMBL4753992 0.80 RECQL (1.00) ALDH1A1KDM4EHTTRECQLLMNA

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