SCHEMBL366974

SCHEMBL366974

CCOC(=O)c1c2ccccc2n2cc(OCc3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
NR4A2 P43354 2/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ANO1 Q5XXA6 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
PRKD3 O94806 1/20 0.43
CDK7 P50613 1/20 0.43
JAK3 P52333 1/20 0.43
TNK2 Q07912 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
G6PD P11413 1/20 0.43

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
SCHEMBL364182 0.88 MAOB (0.46) MAOBMAPTL3MBTL1FFAR1KDM4E
SCHEMBL364482 0.87 KDM4E (0.48) MAPTL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL366340 0.87 MAOB (0.49) MAOBMAPTFFAR1KDM4EALDH1A1
SCHEMBL366973 0.86 MAPT (0.60) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL366971 0.86 MAPT (0.48) MAPTL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL366360 0.83 FFAR1 (0.47) MAOBMAPTFFAR1FFAR4KDM4E
SCHEMBL366702 0.83 MAOB (0.48) MAOBMAPTKDM4EALDH1A1MEN1
SCHEMBL365497 0.83 MAOB (0.50) MAOBMAPTHTTFFAR1KDM4E
SCHEMBL364674 0.82 KDM4E (0.48) MAOBMAPTHTTL3MBTL1KDM4E
SCHEMBL364784 0.82 KDM4E (0.47) MAOBMAPTL3MBTL1KDM4EALDH1A1

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed