SCHEMBL527892

SCHEMBL527892

COc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.73
HTT P42858 1/20 0.73
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 5/20 0.62
HPGD P15428 4/20 0.62
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.53
KCNH2 Q12809 1/20 0.52

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
SCHEMBL528229 0.91 MAPT (0.62) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528045 0.90 MAPT (0.61) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL527908 0.90 MAPT (0.61) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528770 0.90 MAPT (0.60) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528853 0.90 MAPT (0.75) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528500 0.89 MAPT (0.77) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528837 0.89 MAPT (0.72) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528449 0.89 ALDH1A1 (0.67) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528799 0.89 MAPT (0.59) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528566 0.89 MAPT (0.59) MAPTHTTALDH1A1KDM4EHPGD

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