SCHEMBL529488

SCHEMBL529488

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MAPT P10636 6/20 0.63
KDM4E B2RXH2 3/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 4/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.48

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
SCHEMBL528449 0.90 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528670 0.87 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL529111 0.87 MAPT (0.64) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528208 0.87 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528645 0.86 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528045 0.85 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528988 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL527892 0.85 MAPT (0.73) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL529121 0.84 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528058 0.84 MEN1 (0.67) ALDH1A1MAPTKDM4EHPGDHTT

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