SCHEMBL528222

SCHEMBL528222

COc1ccc(C)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
HTT P42858 1/20 0.66
ALDH1A1 P00352 9/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
KDM4E B2RXH2 5/20 0.56
KCNH2 Q12809 1/20 0.52
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 4/20 0.49

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
SCHEMBL528717 0.93 MAPT (0.76) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528625 0.89 MAPT (0.54) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528800 0.89 MAPT (0.62) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528007 0.89 MAPT (0.62) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528383 0.88 NPSR1 (0.65) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528835 0.86 MAPT (0.62) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL529419 0.86 MAPT (0.61) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528449 0.85 ALDH1A1 (0.67) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL527892 0.85 MAPT (0.73) MAPTHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL528500 0.84 MAPT (0.77) MAPTHTTALDH1A1HPGDSMN1; 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