SCHEMBL528625

SCHEMBL528625

COc1ccc(C)c(NC(=O)c2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPK14 Q16539 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL528222 0.89 MAPT (0.66) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL528224 0.87 ALDH1A1 (0.56) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL527908 0.87 MAPT (0.61) MAPTHTTKDM4ELMNAALDH1A1
SCHEMBL529523 0.87 MAPT (0.56) MAPTHTTLMNASMN1; SMN2HSD17B10
SCHEMBL528098 0.87 MAPT (0.56) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL528488 0.85 MAPT (0.64) MAPTHTTKDM4ELMNAALDH1A1
SCHEMBL529092 0.84 KMT2A (0.59) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL527890 0.84 MAPT (0.62) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL528834 0.84 MAPT (0.62) MAPTHTTKDM4ELMNASMN1; SMN2
SCHEMBL528717 0.83 MAPT (0.76) MAPTHTTKDM4ELMNASMN1; 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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed