SCHEMBL4755963

SCHEMBL4755963

CN1C(=O)C(O)C(O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2C P18825 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MGLL Q99685 1/20 0.33
GBA1 P04062 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1773641 1.00 MEN1 (0.34) MEN1KMT2AADRA2CALDH1A1MAPT
SCHEMBL1773222 1.00 MEN1 (0.34) MEN1KMT2AADRA2CALDH1A1MAPT
SCHEMBL17916068 0.72 GSK3A (0.37) KMT2AADRA2CALDH1A1MAPTGSK3A
SCHEMBL17918622 0.72 GSK3A (0.37) KMT2AADRA2CALDH1A1MAPTGSK3A
SCHEMBL17916070 0.72 GSK3A (0.37) KMT2AADRA2CALDH1A1MAPTGSK3A
SCHEMBL12269060 0.72 GSK3A (0.37) KMT2AADRA2CALDH1A1MAPTGSK3A
SCHEMBL23697813 0.69 MEN1 (0.42) MEN1KMT2AALDH1A1MGLLGBA1
SCHEMBL1774288 0.69 MEN1 (0.42) MEN1KMT2AALDH1A1MGLLGBA1
SCHEMBL10311254 0.69
SCHEMBL106970 0.69 ADRA2C (0.35) MEN1KMT2AADRA2CALDH1A1MAPT

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-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A3 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-03 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed