SCHEMBL528500

SCHEMBL528500

COc1ccc(C)cc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.77
HTT P42858 1/20 0.77
GAA P10253 2/20 0.65
LMNA P02545 2/20 0.60
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.55
NPSR1 Q6W5P4 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KCNH2 Q12809 1/20 0.51

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
SCHEMBL529256 0.91 MAPT (0.66) MAPTHTTGAALMNAALDH1A1
SCHEMBL528717 0.91 MAPT (0.76) MAPTHTTGAALMNAALDH1A1
SCHEMBL528121 0.91 MAPT (0.75) MAPTHTTGAALMNAALDH1A1
SCHEMBL528383 0.90 NPSR1 (0.65) MAPTHTTGAALMNAALDH1A1
SCHEMBL528488 0.90 MAPT (0.64) MAPTHTTGAALMNAALDH1A1
SCHEMBL527892 0.89 MAPT (0.73) MAPTHTTGAALMNAALDH1A1
SCHEMBL528300 0.89 MAPT (0.63) MAPTHTTGAALMNAALDH1A1
SCHEMBL528849 0.89 MAPT (0.73) MAPTHTTGAALMNAALDH1A1
SCHEMBL528277 0.88 MAPT (0.62) MAPTHTTGAALMNAALDH1A1
SCHEMBL528294 0.88 KDM4E (0.65) MAPTHTTGAALMNAALDH1A1

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