SCHEMBL14554285

SCHEMBL14554285

COc1cc(CN2CCN(c3ncccc3C(=O)OC(C)C)CC2)cc(O)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2225364 0.95 MAPT (0.52) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222936 0.88 MEN1 (0.57) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222446 0.88 KDM4E (0.61) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222272 0.87 MAPT (0.53) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2221001 0.85 MAPT (0.52) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2226472 0.85 KDM4E (0.55) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2222807 0.85 KDM4E (0.55) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2223906 0.84 MAPT (0.51) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL2227231 0.83 KDM4E (0.49) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL12516900 0.83 KDM4E (0.49) MAPTKDM4EPOLBNPSR1L3MBTL1

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-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed