SCHEMBL1768501

SCHEMBL1768501

Brc1ccccc1-c1c(Br)ccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
DRD2 P14416 3/20 0.36
DRD1 P21728 2/20 0.36
PTPRC P08575 1/20 0.36
SLC6A4 P31645 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
PTPRCAP Q14761 1/20 0.35
RAB9A P51151 2/20 0.34
BAD Q92934 1/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL2210181 0.74 KMT2A (0.43) AOC3PKMTSHRABCG2KMT2A
SCHEMBL263096 0.71 ABCG2 (0.50) AOC3PKMTSHRABCG2KMT2A
SCHEMBL29523159 0.71 ABCG2 (0.50) AOC3PKMTSHRABCG2KMT2A
SCHEMBL2215277 0.70 KMT2A (0.37) AOC3PKMTSHRABCG2KMT2A
SCHEMBL14302835 0.69 CYP1A2 (0.51) PKMTSHRABCG2KMT2ADRD2
SCHEMBL1768496 0.69 PKM (0.39) AOC3PKMTSHRABCG2KMT2A
SCHEMBL29240259 0.69 HSP90AA1 (0.44) AOC3PKMTSHRABCG2KMT2A
SCHEMBL31237737 0.69 PKM (0.56) PKMTSHRABCG2KMT2APTPRC
SCHEMBL29936424 0.69 NQO2 (0.42) PKMTSHRABCG2KMT2ADRD2
SCHEMBL12865263 0.68 AOC3 (0.50) AOC3PKMTSHRABCG2KMT2A

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