SCHEMBL1647338

SCHEMBL1647338

O=C(OCc1ccc(F)c(F)c1)c1cc(Br)ccc1OCc1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.50
PTGER1 P34995 3/20 0.45
CCR5 P51681 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
FOLH1 Q04609 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1646590 0.88 LRRK2 (0.58) LRRK2PTGER1CCR5MRGPRX4LMNA
SCHEMBL1647367 0.81 LRRK2 (0.59) LRRK2PTGER1LMNAHTTKMT2A
SCHEMBL1646587 0.78 LRRK2 (0.60) LRRK2LMNAMAPT
SCHEMBL1647514 0.77 LRRK2 (0.61) LRRK2PTGER1CCR5MRGPRX4LMNA
SCHEMBL1648521 0.76 LRRK2 (0.56) LRRK2PTGER1CCR5LMNAKMT2A
SCHEMBL1647430 0.75 LRRK2 (0.60) LRRK2PTGER1CCR5
SCHEMBL1646798 0.74 CCR5 (0.58) LRRK2CCR5ALDH1A1
SCHEMBL552025 0.73 LRRK2 (0.57) LRRK2LMNAHTTFOLH1ALDH1A1
SCHEMBL1648089 0.73 LMNA (0.46) LRRK2CCR5MRGPRX4LMNAHTT
SCHEMBL1648028 0.73 MEN1 (0.52) LRRK2PTGER1CCR5KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed