SCHEMBL7204118

SCHEMBL7204118

COc1cc(C=CC=C(C#N)NCCc2ccccc2)cc(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
ALOX5 P09917 8/20 0.61
MAOB P27338 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TRPM5 Q9NZQ8 1/20 0.45
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7166665 0.94 MAPT (0.54) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL6030512 0.85 MEN1 (0.78) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL4483006 0.85 MEN1 (0.78) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL5176964 0.84 DNM1 (0.44) MEN1KMT2AMAPTALOX5ALDH1A1
SCHEMBL7205287 0.83 MAPT (0.47) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL5159075 0.81 KMT2A (0.49) MEN1KMT2AMAPTALOX5ALDH1A1
SCHEMBL6029881 0.80 MAPT (0.69) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL4486799 0.80 MAPT (0.69) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL13678117 0.79 MAPT (0.68) MEN1KMT2AMAPTALOX5MAOB
SCHEMBL5234290 0.78 MET (0.47) MEN1KMT2AMAPTMAOBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003531133-A 2003-10-21 JP claimed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP claimed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 WO claimed