SCHEMBL528849

SCHEMBL528849

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.73
HTT P42858 2/20 0.73
LMNA P02545 2/20 0.56
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
GAA P10253 2/20 0.51
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL529489 0.91 MAPT (0.62) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528500 0.89 MAPT (0.77) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528854 0.88 MAPT (0.56) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528717 0.88 MAPT (0.76) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528121 0.87 MAPT (0.75) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL527892 0.86 MAPT (0.73) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528837 0.85 MAPT (0.72) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL529239 0.84 MAPT (0.55) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL529121 0.81 ALDH1A1 (0.64) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL528222 0.81 MAPT (0.66) 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