SCHEMBL528294

SCHEMBL528294

COc1ccc(C)cc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
HPGD P15428 3/20 0.65
MAPT P10636 7/20 0.64
HTT P42858 2/20 0.62
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.55
LMNA P02545 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PTGES O14684 1/20 0.52
TP53 P04637 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
SCHEMBL528853 0.92 MAPT (0.75) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL528500 0.88 MAPT (0.77) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL529256 0.87 MAPT (0.66) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL528300 0.85 MAPT (0.63) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL527884 0.84 MAPT (0.74) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL528277 0.84 MAPT (0.62) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL528552 0.83 KDM4E (0.64) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL528901 0.83 MAPT (0.74) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL528549 0.83 MAPT (0.56) KDM4EHPGDMAPTHTTALDH1A1
SCHEMBL527918 0.83 HPGD (0.65) KDM4EHPGDMAPTHTTALDH1A1

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