SCHEMBL5867390

SCHEMBL5867390

FC(F)(F)c1ccc(Br)c(C(F)(F)F)c1.O=Cc1ccc(B(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MGLL Q99685 2/20 0.47
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
XBP1 P17861 1/20 0.42
CES2 O00748 2/20 0.39
KIF11 P52732 1/20 0.38
TRPV6 Q9H1D0 2/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL5867429 0.81 MGLL (0.59) KDM4EMGLLKIF11TRPV6ORAI1
SCHEMBL28769064 0.76 MGLL (0.47) MGLLMAPTNPSR1XBP1TRPV6
SCHEMBL5546389 0.76 KIF11 (0.47) KDM4EMAPTNPSR1XBP1KIF11
SCHEMBL29632676 0.75 MAPT (0.53) MAPTNPSR1XBP1CES2MEN1
SCHEMBL496276 0.75 MAPT (0.53) MAPTNPSR1XBP1CES2MEN1
SCHEMBL31395130 0.73 APP (0.46) MAPTNPSR1XBP1KIF11MEN1
SCHEMBL5840 0.72 KDM4E (1.00) KDM4ECA1CA2
Methane SCHEMBL28841002 0.70 KDM4E (0.95) KDM4ECA1CA2
SCHEMBL28202653 0.70 KDM4E (0.95) KDM4ECA1CA2
SCHEMBL138245 0.69 TAS2R14 (0.39) MAPTNPSR1XBP1CES2KIF11

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
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed