SCHEMBL1768308

SCHEMBL1768308

Brc1ccc(I)c(I)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.39
ALDH1A1 P00352 4/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
FABP4 P15090 1/20 0.35
TYMP P19971 1/20 0.34
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18661304 0.88 MAPK1 (0.41) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL28860474 0.84 ALDH1A1 (0.38) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL13319607 0.80 ALDH1A1 (0.50) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL28693643 0.77 ALDH1A1 (0.44) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL4611987 0.77 ALDH1A1 (0.39) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL2419718 0.73 MAPK1 (0.45) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL8973903 0.72 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL598477 0.72 ALDH1A1 (0.50) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL22717278 0.71 LMNA (0.40) MAPK1ALDH1A1ESR1ESR2MAPT
SCHEMBL31543984 0.71 ALDH1A1 (0.46) MAPK1ALDH1A1ESR1ESR2MAPT

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
WO-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed