SCHEMBL9700134

SCHEMBL9700134

Cc1c(O)c(=O)ccn1CC(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TP53 P04637 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DOHH Q9BU89 2/20 0.46
KDM6A O15550 1/20 0.46
KDM4A O75164 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
COMT P21964 2/20 0.44
APP P05067 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
APAF1 O14727 5/20 0.41
TYR P14679 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9518157 0.82 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL12949574 0.79 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9387565 0.78 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL3083137 0.77 KDM4E (0.61) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6949699 0.76 KDM4E (0.53) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9517263 0.76 KDM4E (0.49) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5525055 0.74 KDM4E (0.62) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL3686713 0.74 KDM4E (0.58) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL12289163 0.74 KDM4E (0.54) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL10480777 0.74 PKM (0.54) KDM4ETP53CYP2D6HTTSMN1; 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
WO-1992012131-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1992-07-23 WO disclosed
EP-0494754-A1 3-hydroxypyridin-4-one derivatives as pharmaceutical compositions BRITISH TECHNOLOGY GROUP LTD (GB) 1992-07-15 EP disclosed