SCHEMBL8550679

SCHEMBL8550679

O=[N+]([O-])c1[c]cccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.33
NR1H2 P55055 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
PTPRC P08575 1/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 2/20 0.30
RECQL P46063 1/20 0.30
MCL1 Q07820 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6232168 0.80 ALDH1A1 (0.36) S100A4TDP1PTPRCALDH1A1MAPT
SCHEMBL1746864 0.79 NPBWR1 (0.37) TDP1PTPRCKMT2AALDH1A1MEN1
SCHEMBL15638311 0.78 S100A4 (0.36) S100A4TDP1PTPRCKMT2AALDH1A1
SCHEMBL6191701 0.78 PTGS2 (0.40) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL1179476 0.76 HPGD (0.38) TDP1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3535919 0.75 ALDH1A1 (0.53) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL6187312 0.74 HSD17B10 (0.42)
SCHEMBL6192325 0.74 ALDH1A1 (0.45) TDP1KMT2AALDH1A1MEN1MAPT
SCHEMBL6195273 0.74 ALDH1A1 (0.52) S100A4TDP1PTPRCKMT2AALDH1A1
SCHEMBL6194126 0.72 HSD17B10 (0.44) TDP1ALDH1A1MAPTMAPK1

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-0376218-B1 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS INC (US) 1999-02-24 EP claimed