SCHEMBL528501

SCHEMBL528501

Cc1ccc(N(Cc2cccc(C(=O)Nc3ccccc3OCc3ccccc3)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
TOP2A P11388 5/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP19A1 P11511 1/20 0.46
BRD4 O60885 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
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
SCHEMBL528415 0.92 LMNA (0.57) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL527908 0.90 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL528588 0.89 NPSR1 (0.56) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL528224 0.87 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL529217 0.87 MEN1 (0.52) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL529222 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL528832 0.84 MAPT (0.53) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL528469 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL528045 0.83 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL528098 0.82 MAPT (0.56) ALDH1A1MAPTKDM4EHPGDLMNA

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