SCHEMBL528468

SCHEMBL528468

COc1ccccc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 5/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 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
SCHEMBL528514 0.91 L3MBTL1 (0.49) L3MBTL1MAPTHTTKDM4EMAPK1
SCHEMBL528261 0.90 MAPK1 (0.58) L3MBTL1MAPTHTTKDM4EMAPK1
SCHEMBL528369 0.90 MEN1 (0.52) L3MBTL1MAPTHTTKDM4EALDH1A1
SCHEMBL528660 0.90 L3MBTL1 (0.48) L3MBTL1MAPTHTTKDM4EMAPK1
SCHEMBL529394 0.90 LMNA (0.53) L3MBTL1MAPTHTTKDM4EALDH1A1
SCHEMBL529284 0.90 ALDH1A1 (0.56) L3MBTL1MAPTHTTKDM4EALDH1A1
SCHEMBL528200 0.89 ALDH1A1 (0.55) L3MBTL1MAPTHTTKDM4EALDH1A1
SCHEMBL528787 0.89 MAPT (0.56) L3MBTL1MAPTHTTKDM4EMAPK1
SCHEMBL528274 0.88 L3MBTL1 (0.47) L3MBTL1MAPTHTTKDM4EMAPK1
SCHEMBL528938 0.88 ALDH1A1 (0.59) L3MBTL1MAPTHTTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed