SCHEMBL10474111

SCHEMBL10474111

O=C(NNc1ccccc1Br)c1c(F)cccc1F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL13806891 0.81 GAA (0.68) GAAHTTLMNAKMT2APKM
SCHEMBL8372470 0.79 LMNA (0.60) GAAHTTLMNAKMT2AMEN1
SCHEMBL10473988 0.78 GAA (0.61) GAALMNAKMT2APKMMEN1
SCHEMBL8372493 0.76 CES2 (0.61) GAAHTTLMNAKMT2APKM
SCHEMBL10475129 0.76 GAA (0.74) GAALMNAKMT2APKMMAPT
SCHEMBL3146529 0.76 GAA (0.59) GAALMNAKMT2APKMMEN1
SCHEMBL13806890 0.76 GAA (0.62) GAAHTTLMNAMAPTKDM4E
SCHEMBL6860892 0.75 GAA (0.61) GAAHTTLMNAKMT2AMEN1
SCHEMBL9461863 0.75 HTT (0.53) GAAHTTLMNAKMT2AMEN1
SCHEMBL20984927 0.75 GAA (0.59) GAAHTTLMNAKMT2AMEN1

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
US-4943583-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1990-07-24 US disclosed