SCHEMBL528469

SCHEMBL528469

CSc1ccccc1NC(=O)c1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 4/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL528645 0.90 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL528224 0.90 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL529222 0.87 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL528832 0.87 MAPT (0.53) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL527908 0.86 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL527913 0.85 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL528415 0.84 LMNA (0.57) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL528338 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL528098 0.83 MAPT (0.56) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL528588 0.83 NPSR1 (0.56) ALDH1A1MAPTKDM4EHPGDNPSR1

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