SCHEMBL762458

SCHEMBL762458

COC(=O)/C(C)=C/c1ccc(Br)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MAPT P10636 9/20 0.47
POLB P06746 9/20 0.47
MEN1 O00255 8/20 0.47
TDP1 Q9NUW8 4/20 0.47
RECQL P46063 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
BLM P54132 2/20 0.47
APEX1 P27695 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 11/20 0.45
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 5/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL5870043 0.83 KMT2A (0.55) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL5870048 0.83 KMT2A (0.55) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL764136 0.83 KMT2A (0.55) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL30352913 0.83 MAPT (0.53) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL30352917 0.83 MAPT (0.53) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL30352910 0.81 POLB (0.45) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL28216579 0.81 KMT2A (0.46) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL30352937 0.78 ALDH1A1 (0.41) KMT2AMAPTPOLBMEN1SMN1; SMN2
SCHEMBL30352909 0.78 POLB (0.35) KMT2AMAPTPOLBMEN1TDP1
SCHEMBL30352938 0.78 ALDH1A1 (0.41) KMT2AMAPTPOLBMEN1SMN1; SMN2

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed