SCHEMBL528717

SCHEMBL528717

COc1ccc(OC)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.76
HTT P42858 2/20 0.76
KDM4E B2RXH2 5/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 3/20 0.59
ALDH1A1 P00352 5/20 0.58
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 1/20 0.56
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.53
KCNH2 Q12809 1/20 0.50

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
SCHEMBL528222 0.93 MAPT (0.66) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528500 0.91 MAPT (0.77) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528121 0.90 MAPT (0.75) MAPTHTTKDM4EHPGDLMNA
SCHEMBL527892 0.89 MAPT (0.73) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528849 0.88 MAPT (0.73) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528837 0.87 MAPT (0.72) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528826 0.87 MAPT (0.64) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528800 0.86 MAPT (0.62) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528007 0.86 MAPT (0.62) MAPTHTTKDM4EHPGDLMNA
SCHEMBL530943 0.85 MAPT (0.57) MAPTHTTKDM4EHPGDLMNA

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