SCHEMBL11260053

SCHEMBL11260053

CN(C)Cc1oc(CO)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ACHE P22303 2/20 0.32
HRH3 Q9Y5N1 1/20 0.30
BCHE P06276 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL11248627 0.79 KDM4E (0.41) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL11248268 0.75 GSR (0.43) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL11256940 0.74 GLA (0.43) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL11252579 0.73 PRMT6 (0.57) ACHEBCHE
SCHEMBL11246313 0.73 TDP1 (0.40) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL5103818 0.69
SCHEMBL10955573 0.68 ACHE (0.36) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL1733144 0.66 ACHE (0.61) TDP1ACHEBCHE
Hydrochloric Acid SCHEMBL3081249 0.64 ACHE (0.59) ACHEBCHE
SCHEMBL11260051 0.64 KDM4E (0.30) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001699-B1 DERIVATIVES OF FURYL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1982-02-24 EP disclosed
US-4288443-A HISTAMINE ANTAGONISTS GLAXO GROUP LIMITED (GB) 1981-09-08 US disclosed
EP-0001699-A2 Derivatives of furyl compounds, their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1979-05-02 EP disclosed