SCHEMBL7781665

SCHEMBL7781665

CCCCCc1ccc(-c2ccc(Br)cc2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RARB P10826 1/20 0.36
GCGR P47871 1/20 0.35
PYCR1 P32322 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL7781660 0.99 TYR (0.42) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL7786185 0.99 TYR (0.42) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL223670 0.82 TYR (0.47) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9710376 0.81 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13464690 0.81 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL13464625 0.81 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL30294101 0.81 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL17356649 0.79 TYR (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL17108406 0.79 TYR (0.47) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL15164264 0.78 RARB (0.55) MEN1TP53CYP3A4MAPTTSHR

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