SCHEMBL528787

SCHEMBL528787

COc1ccc(OC)c(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
POLB P06746 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCL1 Q07820 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
CYP2C9 P11712 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL528937 0.92 MAPT (0.47) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL529518 0.90 MAPT (0.46) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL528632 0.90 ALDH1A1 (0.51) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL528938 0.90 ALDH1A1 (0.59) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL528487 0.89 MAPT (0.46) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL528468 0.89 L3MBTL1 (0.57) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL528272 0.88 MAPT (0.45) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL529428 0.88 MAPT (0.57) MAPTHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL528800 0.86 MAPT (0.62) MAPTHTTALDH1A1SMN1; SMN2GAA
SCHEMBL528007 0.86 MAPT (0.62) MAPTHTTALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed