SCHEMBL20804233

SCHEMBL20804233

O=C1C=CC(=O)N1Cc1ccc(F)c(I)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.42
FAAH O00519 4/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GMNN O75496 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL17123178 0.79 PTGS1 (0.50) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL20047130 0.73 RIPK1 (0.34) MAPTSMN1; SMN2P2RX7
SCHEMBL4746479 0.71 KDM4E (0.50) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL20804327 0.69 MGLL (0.52) MGLLFAAHPTGS1PTGS2GSK3A
SCHEMBL20804359 0.68 GSK3A (0.47) MGLLPTGS1PTGS2GSK3AGSK3B
SCHEMBL16041142 0.67
SCHEMBL19083122 0.67 LOXL2 (0.38)
SCHEMBL16040258 0.67 MAPK1 (0.30) MAPK1
SCHEMBL19098546 0.67 MEN1 (0.30)
SCHEMBL2785687 0.66 PTGS1 (0.73) MGLLFAAHPTGS1PTGS2GSK3A

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
EP-3089962-B1 RADIOIODINATED COMPOUNDS NUTECH VENTURES (US) 2019-03-13 EP disclosed