SCHEMBL5420599

SCHEMBL5420599

COc1ccc(CNC(=O)c2sc(Nc3ccc(Br)cc3)nc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.49
DHODH Q02127 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM4 P08173 2/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5396718 0.90 MAPT (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4923913 0.90 MAPT (0.59) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5402842 0.86 DHODH (0.62) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5425246 0.83 MAPT (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5412989 0.82 MAPT (0.51) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4925177 0.81 MAPT (0.58) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL4925312 0.79 MAPT (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL14214419 0.79 MAPT (0.55) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4929895 0.78 SCD (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14184655 0.77 MAPT (0.58) MEN1KMT2AMAPTALDH1A1LMNA

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-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed