SCHEMBL528261

SCHEMBL528261

COc1ccccc1C(=O)Nc1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
KCNK3 O14649 7/20 0.54
KCNK9 Q9NPC2 7/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 2/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL529422 0.93 NPC1 (0.53) MAPK1KDM4EL3MBTL1KCNK3KCNK9
SCHEMBL528474 0.91 KCNK3 (0.53) MAPK1KDM4EL3MBTL1KCNK3KCNK9
SCHEMBL528468 0.90 L3MBTL1 (0.57) MAPK1KDM4EL3MBTL1KCNK3KCNK9
SCHEMBL528632 0.90 ALDH1A1 (0.51) MAPK1KDM4EL3MBTL1KCNK3KCNK9
SCHEMBL528847 0.89 MEN1 (0.55) KDM4EL3MBTL1KCNK3KCNK9KMT2A
SCHEMBL529458 0.89 MAPT (0.52) MAPK1KDM4EL3MBTL1KMT2APOLB
SCHEMBL528567 0.89 KCNK3 (0.54) MAPK1KDM4EL3MBTL1KCNK3KCNK9
SCHEMBL528522 0.87 MEN1 (0.52) KDM4EL3MBTL1KMT2APOLBMEN1
SCHEMBL528589 0.87 MEN1 (0.52) KDM4EL3MBTL1KCNK3KCNK9KMT2A
SCHEMBL529102 0.86 MAPT (0.55) KDM4EKMT2APOLBMEN1MAPT

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