SCHEMBL528488

SCHEMBL528488

COc1ccc(C)cc1NC(=O)c1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
HTT P42858 1/20 0.64
GAA P10253 1/20 0.56
LMNA P02545 2/20 0.51
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 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
SCHEMBL528834 0.91 MAPT (0.62) MAPTHTTGAALMNAKDM4E
SCHEMBL527908 0.91 MAPT (0.61) MAPTHTTGAALMNAKDM4E
SCHEMBL528500 0.90 MAPT (0.77) MAPTHTTGAALMNAKDM4E
SCHEMBL528264 0.90 MAPT (0.60) MAPTHTTGAALMNAKDM4E
SCHEMBL529489 0.89 MAPT (0.62) MAPTHTTGAALMNAKDM4E
SCHEMBL529230 0.87 MAPT (0.49) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528625 0.85 MAPT (0.54) MAPTHTTGAALMNAKDM4E
SCHEMBL528224 0.84 ALDH1A1 (0.56) MAPTHTTGAALMNAKDM4E
SCHEMBL528415 0.82 LMNA (0.57) MAPTHTTGAALMNAPARP1
SCHEMBL529256 0.81 MAPT (0.66) MAPTHTTGAALMNAKDM4E

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