SCHEMBL529458

SCHEMBL529458

COc1ccc(Cl)cc1C(=O)Nc1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
HTT P42858 3/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 3/20 0.48
NPC1 O15118 1/20 0.48
AHR P35869 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
MAPK1 P28482 1/20 0.46
KCNMA1 Q12791 1/20 0.45

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
SCHEMBL528632 0.90 ALDH1A1 (0.51) MAPTALDH1A1NPSR1HTTGAA
SCHEMBL528938 0.90 ALDH1A1 (0.59) MAPTALDH1A1NPSR1HTTGAA
SCHEMBL528261 0.89 MAPK1 (0.58) MAPTALDH1A1NPSR1HTTGAA
SCHEMBL529348 0.89 SMN1; SMN2 (0.51) MAPTALDH1A1NPSR1GAALMNA
SCHEMBL528321 0.88 MEN1 (0.48) MAPTALDH1A1NPSR1LMNAPOLB
SCHEMBL528145 0.86 MAPT (0.55) MAPTALDH1A1NPSR1HTTGAA
SCHEMBL529422 0.86 NPC1 (0.53) MAPTALDH1A1NPSR1HTTGAA
SCHEMBL528554 0.83 MEN1 (0.57) MAPTALDH1A1NPSR1GAALMNA
SCHEMBL528589 0.83 MEN1 (0.52) MAPTALDH1A1NPSR1GAAL3MBTL1
SCHEMBL529102 0.83 MAPT (0.55) MAPTALDH1A1NPSR1GAALMNA

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