SCHEMBL530943

SCHEMBL530943

COc1ccc(OC)c(NC(=O)c2ccc(CN(c3ccc4c(c3)CCC4)S(C)(=O)=O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
HTT P42858 2/20 0.57
GAA P10253 3/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 4/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.49

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
SCHEMBL529049 0.90 MAPT (0.57) MAPTHTTGAATP53SMN1; SMN2
SCHEMBL529695 0.88 MAPT (0.50) MAPTHTTGAATP53SMN1; SMN2
SCHEMBL528717 0.85 MAPT (0.76) MAPTHTTGAATP53SMN1; SMN2
SCHEMBL530471 0.81 MAPT (0.56) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL531180 0.80 KMT2A (0.61) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL528222 0.79 MAPT (0.66) MAPTHTTGAASMN1; SMN2LMNA
SCHEMBL528500 0.77 MAPT (0.77) MAPTHTTGAASMN1; SMN2LMNA
SCHEMBL528121 0.76 MAPT (0.75) MAPTHTTGAASMN1; SMN2LMNA
SCHEMBL527915 0.75 ALDH1A1 (0.59) MAPTHTTGAATP53SMN1; SMN2
SCHEMBL528849 0.74 MAPT (0.73) MAPTHTTGAASMN1; SMN2LMNA

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