SCHEMBL528383

SCHEMBL528383

Cc1ccc(C)c(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.65
MAPT P10636 6/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 3/20 0.60
HPGD P15428 3/20 0.60
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
KCNH2 Q12809 1/20 0.53
GAA P10253 2/20 0.50
TP53 P04637 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
SCHEMBL529586 0.92 MAPT (0.59) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528500 0.90 MAPT (0.77) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL529419 0.89 MAPT (0.61) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528449 0.89 ALDH1A1 (0.67) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528222 0.88 MAPT (0.66) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528269 0.87 NPSR1 (0.53) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL529360 0.85 LMNA (0.67) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528092 0.85 MAPT (0.70) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL529111 0.84 MAPT (0.64) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL528208 0.84 ALDH1A1 (0.64) NPSR1MAPTHTTALDH1A1KDM4E

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