SCHEMBL528224

SCHEMBL528224

Cc1ccc(N(Cc2cccc(C(=O)Nc3ccccc3C)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL529222 0.91 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528832 0.91 MAPT (0.53) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528469 0.90 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528449 0.89 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL527908 0.89 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528098 0.89 MAPT (0.56) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL527913 0.88 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528338 0.88 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528415 0.88 LMNA (0.57) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528625 0.87 MAPT (0.54) ALDH1A1MAPTKDM4EHPGDMEN1

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