SCHEMBL528549

SCHEMBL528549

COc1ccc(C)cc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.49
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OXTR P30559 1/20 0.40

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
SCHEMBL529212 0.92 NPSR1 (0.48) MAPTHTTGAAKDM4EHPGD
SCHEMBL529354 0.91 MAPT (0.55) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528225 0.85 MAPT (0.46) MAPTHTTGAAKDM4EHPGD
SCHEMBL539192 0.84 MAPT (0.49) MAPTHTTGAAKDM4EHPGD
SCHEMBL527937 0.83 ALDH1A1 (0.48) MAPTHTTKDM4EHPGDLMNA
SCHEMBL528500 0.83 MAPT (0.77) MAPTHTTGAAKDM4EHPGD
SCHEMBL528294 0.83 KDM4E (0.65) MAPTHTTGAAKDM4EHPGD
SCHEMBL529256 0.82 MAPT (0.66) MAPTHTTGAAKDM4EHPGD
SCHEMBL528697 0.82 MAPT (0.42) MAPTHTTGAAKDM4EHPGD
SCHEMBL528384 0.82 OXTR (0.44) 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