SCHEMBL528502

SCHEMBL528502

COc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
HTT P42858 2/20 0.65
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
ROCK2 O75116 1/20 0.52
CYP3A4 P08684 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPK14 Q16539 1/20 0.48

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
SCHEMBL528128 0.95 MAPT (0.64) MAPTHTTUSP2SMN1; SMN2ALDH1A1
SCHEMBL528391 0.92 MAPT (0.62) MAPTHTTUSP2SMN1; SMN2ALDH1A1
SCHEMBL528007 0.88 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528800 0.88 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL527885 0.86 MAPT (0.57) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL527890 0.85 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL529360 0.85 LMNA (0.67) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528550 0.85 ALDH1A1 (0.55) MAPTHTTUSP2SMN1; SMN2ALDH1A1
SCHEMBL528787 0.85 MAPT (0.56) MAPTHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL528468 0.84 L3MBTL1 (0.57) MAPTHTTSMN1; SMN2ALDH1A1HPGD

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