SCHEMBL528395

SCHEMBL528395

Cc1ccc(N(Cc2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 4/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPK14 Q16539 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
RAF1 P04049 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
BRAF P15056 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK11 Q15759 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL529349 0.90 MAPT (0.61) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL529287 0.89 KMT2A (0.64) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528754 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528344 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528820 0.88 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL527890 0.86 MAPT (0.62) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528788 0.85 MAPT (0.54) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528757 0.85 MAPT (0.54) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528337 0.84 MAPT (0.56) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL528058 0.84 MEN1 (0.67) MAPTNPSR1MEN1KMT2ALMNA

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