SCHEMBL8489362

SCHEMBL8489362

O=C(c1ccccc1Br)c1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.40
GSTA1 P08263 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL1298701 0.87 MEN1 (0.54) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL29470997 0.87 PRNP (0.53) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL1681866 0.87 PRNP (0.53) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3839465 0.84 KMT2A (0.52) PRNPKMT2AMEN1TDP1ALDH1A1
SCHEMBL3844423 0.84 PRNP (0.57) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL9679485 0.84 PRNP (0.57) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4981094 0.77 GSTA1 (0.63) PRNPALDH1A1NPC1RAB9AMAPT
SCHEMBL7931233 0.77 PRNP (0.50) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL31185117 0.77 ALDH1A1 (0.61) PRNPKMT2AMEN1TDP1ALDH1A1
SCHEMBL3845299 0.77 AKR1C3 (0.54) KMT2AMEN1TDP1ALDH1A1MAPT

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-1999038833-A1 PROCESS FOR THE HALOGENATION OF ALDEHYDES AND KETONES BROMINE COMPOUNDS LTD. (IL) 1999-08-05 WO disclosed