SCHEMBL22212561

SCHEMBL22212561

COc1ccc(ONc2cccc(NC3=C(Cl)C(=O)c4ccccc4C3=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.54
▸ HTT P42858 10/20 0.54
▸ MAPK1 P28482 10/20 0.54
▸ RAB9A P51151 9/20 0.54
▸ ALDH1A1 P00352 8/20 0.54
▸ L3MBTL1 Q9Y468 8/20 0.54
▸ LMNA P02545 5/20 0.54
▸ HPGD P15428 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NSD2 O96028 4/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ POLB P06746 2/20 0.54
▸ KMT2A Q03164 11/20 0.54
▸ MEN1 O00255 10/20 0.54
▸ NPSR1 Q6W5P4 7/20 0.54
▸ GAA P10253 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ ATM Q13315 4/20 0.54
▸ MITF O75030 3/20 0.54

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
SCHEMBL12283051 0.83 MAPT (0.72) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL18424314 0.82 CYP19A1 (0.66) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL2244992 0.74 CYP19A1 (0.55) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL12352062 0.74 MAPT (0.50) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL12283197 0.74 MAPT (0.60) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL12352055 0.73 MAPT (0.58) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL20971703 0.73 ALDH1A1 (0.64) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL2243450 0.73 ALDH1A1 (0.64) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL12352053 0.72 KMT2A (0.55) MAPTHTTMAPK1RAB9AALDH1A1
SCHEMBL2241338 0.72 ALDH1A1 (0.59) MAPTHTTMAPK1RAB9AALDH1A1

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
EP-3328368-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITION ASSOCIATED WITH UBIQUITINATION-PROTEASOME SYSTEM BRIDGENT BIOTECHNOLOGY INC (TW) 2020-07-15 — — EP disclosed
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