SCHEMBL27985290

SCHEMBL27985290

Cc1c(Br)cc(O)c(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
PTPN1 P18031 3/20 0.37
ALOX15 P16050 3/20 0.35
ALOX12 P18054 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
NQO2 P16083 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 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
SCHEMBL10434111 0.84 ACHE (0.43) ACHEPTPN1ALOX15ALOX12CA1
SCHEMBL19003619 0.82 PTPN1 (0.44) ACHEPTPN1ALOX15ALOX12CA1
SCHEMBL28498022 0.79 ACHE (0.43) ACHEALOX15ALOX12CA1CA2
SCHEMBL7754486 0.79 CA1 (0.40) ACHEPTPN1ALOX15ALOX12CA1
Ethane SCHEMBL10514068 0.76 PTPN1 (0.43) PTPN1ALOX15ALOX12CA1CA2
SCHEMBL22112316 0.76 ACHE (0.46) ACHEALOX15ALOX12LMNAHPGD
SCHEMBL2266180 0.75 CA2 (0.40) CA1CA2CA4CA6NQO2
SCHEMBL144299 0.75 PTPN1 (0.46) PTPN1ALOX15ALOX12CA1CA2
SCHEMBL30479640 0.75 PTPN1 (0.46) PTPN1ALOX15ALOX12CA1CA2
SCHEMBL25581857 0.75 ACHE (0.43) ACHEPTPN1ALOX15ALOX12CA1

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
CN-104098449-A Preparation method of 2,6-dimethoxy-3-bromo-4-methylphenol INSIGHT HIGH TECHNOLOGY JIANGSU CO LTD 2014-10-15 CN disclosed