SCHEMBL528800

SCHEMBL528800

COc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 7/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 3/20 0.55
KCNH2 Q12809 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.52
TP53 P04637 2/20 0.52
STAT3 P40763 1/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL528007 1.00 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL527885 0.92 MAPT (0.57) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL528399 0.91 MAPT (0.56) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL529360 0.89 LMNA (0.67) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL527890 0.89 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL528835 0.89 MAPT (0.62) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL529092 0.89 KMT2A (0.59) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL528222 0.89 MAPT (0.66) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL528128 0.89 MAPT (0.64) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL528857 0.88 SMN1; SMN2 (0.56) MAPTHTTSMN1; SMN2ALDH1A1MEN1

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