SCHEMBL527908

SCHEMBL527908

COc1ccccc1NC(=O)c1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
HTT P42858 1/20 0.61
LMNA P02545 3/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
CNR2 P34972 1/20 0.46

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
SCHEMBL528415 0.91 LMNA (0.57) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528488 0.91 MAPT (0.64) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL527892 0.90 MAPT (0.73) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528501 0.90 ALDH1A1 (0.52) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528588 0.90 NPSR1 (0.56) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528264 0.89 MAPT (0.60) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528224 0.89 ALDH1A1 (0.56) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL529217 0.89 MEN1 (0.52) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528834 0.89 MAPT (0.62) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL529489 0.87 MAPT (0.62) MAPTHTTLMNAKDM4EALDH1A1

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