SCHEMBL7781658

SCHEMBL7781658

CCCCCCCCCCOC1(Br)C=CC(c2ccccc2F)=C(F)C1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 2/20 0.33
PTPN1 P18031 1/20 0.32
FAAH O00519 6/20 0.32
PTPN11 Q06124 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GCGR P47871 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL7788909 0.86 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL7786200 0.80 TLR8 (0.32) GCGRTLR8
SCHEMBL28712171 0.70 HDAC3 (0.31)
SCHEMBL9494650 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL9495307 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL9493597 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL9494288 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL9495363 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL9497273 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A
SCHEMBL9494265 0.70 NR5A1 (0.36) CYP2C9CYP2C19MEN1RECQLKMT2A

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-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed