SCHEMBL529539

SCHEMBL529539

Cc1ccc(C)c(N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12505329 0.84 MAPT (0.44) MAPTNPSR1HTTALDH1A1KDM4E
SCHEMBL528892 0.76 MAPT (0.41) MAPTNPSR1HTTALDH1A1KDM4E
SCHEMBL529036 0.76 NPSR1 (0.41) MAPTNPSR1HTTLMNAGAA
SCHEMBL528821 0.74 L3MBTL1 (0.44) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL21375770 0.73 LMNA (0.48) MAPTNPSR1HTTALDH1A1LMNA
SCHEMBL20210285 0.73 ALDH1A1 (0.38) MAPTNPSR1HTTALDH1A1KDM4E
SCHEMBL21101926 0.72 LMNA (0.42) MAPTNPSR1HTTALDH1A1KDM4E
SCHEMBL528260 0.72 ALDH1A1 (0.39) MAPTNPSR1HTTALDH1A1KDM4E
SCHEMBL529554 0.72 ALDH1A1 (0.46) MAPTNPSR1ALDH1A1KDM4ELMNA
SCHEMBL528635 0.71 ALDH1A1 (0.43) MAPTNPSR1HTTALDH1A1KDM4E

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 claimed