SCHEMBL12653485

SCHEMBL12653485

COc1ccc(O)c(C2(O)C(N)=Nc3ccc(Cl)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.51
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ GAA P10253 4/20 0.45
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTSD P07339 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ FADS1 O60427 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ ABCB1 P08183 1/20 0.35

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
SCHEMBL12165098 0.85 EHMT2 (0.45) EHMT2MEN1KMT2AGAAMAPT
SCHEMBL12165271 0.84 EHMT2 (0.44) EHMT2MEN1KMT2AMAPTALDH1A1
SCHEMBL12165073 0.84 EHMT2 (0.45) EHMT2MEN1KMT2AMAPTALDH1A1
SCHEMBL12165220 0.83 EHMT2 (0.44) EHMT2MEN1KMT2AGAAMAPT
SCHEMBL12165326 0.83 EHMT2 (0.46) EHMT2CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL12165388 0.83 EHMT2 (0.46) EHMT2CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL12165300 0.83 EHMT2 (0.44) EHMT2MAPTKDM4ECTSDHPGD
SCHEMBL12165224 0.83 EHMT2 (0.46) EHMT2CTSDSLC6A2SLC6A4SLC6A3
SCHEMBL12165291 0.82 EHMT2 (0.46) EHMT2MEN1KMT2AGAAKDM4E
SCHEMBL12165251 0.81 EHMT2 (0.45) EHMT2CTSDSLC6A2SLC6A4SLC6A3

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-2011053697-A1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORPORATION (US) 2011-05-05 — — WO disclosed
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