SCHEMBL7786185

SCHEMBL7786185

CCCCCCCc1ccc(-c2ccc(Br)cc2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RARB P10826 1/20 0.38
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GCGR P47871 1/20 0.34
GAA P10253 2/20 0.34
GPR3 P46089 1/20 0.34
PYCR1 P32322 1/20 0.34
NPC1 O15118 1/20 0.34

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 1.00 TYR (0.42) TYRCYP3A4MAPTMEN1TP53
SCHEMBL7781665 0.99 TYR (0.40) TYRCYP3A4MAPTMEN1TP53
SCHEMBL13464690 0.83 TYR (0.50) TYRCYP3A4MAPTMEN1TP53
SCHEMBL9710376 0.83 TYR (0.50) TYRCYP3A4MAPTMEN1TP53
SCHEMBL30294101 0.83 TYR (0.50) TYRCYP3A4MAPTMEN1TP53
SCHEMBL13464625 0.83 TYR (0.50) TYRCYP3A4MAPTMEN1TP53
SCHEMBL223670 0.81 TYR (0.47) TYRCYP3A4MAPTMEN1TP53
SCHEMBL15164264 0.80 RARB (0.55) CYP3A4MAPTMEN1TP53TSHR
SCHEMBL7788527 0.78 SMN1; SMN2 (0.43) MAPTMEN1HTTKMT2ANPC1
SCHEMBL7781638 0.78 SMN1; SMN2 (0.43) MAPTMEN1HTTKMT2ANPC1

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