SCHEMBL7962017

SCHEMBL7962017

CN(C=O)/C(N)=N\C1CC(c2cccs2)Oc2ccc(Br)cc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7947839 0.88 KDM4E (0.32) KDM4EMAPTATML3MBTL1
SCHEMBL7962464 0.82 BACE1 (0.33) KDM4EMAPT
SCHEMBL12299286 0.72 AR (0.35)
SCHEMBL7960735 0.72 CYP19A1 (0.34) KDM4EMAPT
SCHEMBL7948351 0.69 KDM4E (0.34) KDM4EMAPTATML3MBTL1
SCHEMBL12299287 0.69 KDM4E (0.34) KDM4EMAPTATML3MBTL1
SCHEMBL7958731 0.66 FADS1 (0.37)
SCHEMBL12299271 0.65 AKR1B1 (0.33)
SCHEMBL7710613 0.62 CYP11B1 (0.38)
6-Bromo-2-(Thiophen-2-Yl)Chroman-4-One SCHEMBL1824814 0.62 AR (0.58) KDM4EMAPT

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-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 WO disclosed