SCHEMBL528045

SCHEMBL528045

CCOc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 4/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KCNH2 Q12809 1/20 0.55
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 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
SCHEMBL528865 0.93 ALDH1A1 (0.54) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528415 0.91 LMNA (0.57) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL527892 0.90 MAPT (0.73) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528515 0.90 ALDH1A1 (0.52) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528552 0.90 KDM4E (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528826 0.89 MAPT (0.64) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL529361 0.88 ALDH1A1 (0.50) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528770 0.88 MAPT (0.60) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528449 0.87 ALDH1A1 (0.67) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL528799 0.87 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