SCHEMBL528338

SCHEMBL528338

Cc1ccc(N(Cc2cccc(C(=O)Nc3ccccc3CC(C)C)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNH2 Q12809 1/20 0.41
BCHE P06276 1/20 0.41
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL528670 0.91 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528832 0.91 MAPT (0.53) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL527913 0.88 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528224 0.88 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL529222 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528469 0.84 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL527908 0.83 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL529319 0.82 LMNA (0.58) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL529217 0.82 MEN1 (0.52) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL528415 0.82 LMNA (0.57) 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