SCHEMBL528938

SCHEMBL528938

COc1ccc(Cl)cc1C(=O)Nc1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 5/20 0.59
HTT P42858 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
GAA P10253 2/20 0.59
NPC1 O15118 3/20 0.56
POLB P06746 1/20 0.56
AHR P35869 1/20 0.56
LMNA P02545 2/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KCNMA1 Q12791 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC8 Q9BY41 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL529590 0.90 LMNA (0.49) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL529458 0.90 MAPT (0.52) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL528787 0.90 MAPT (0.56) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL527889 0.89 ALDH1A1 (0.58) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL528053 0.89 MAPT (0.55) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL528022 0.89 LMNA (0.49) ALDH1A1MAPTHTTNPSR1NPC1
SCHEMBL528468 0.88 L3MBTL1 (0.57) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL528391 0.85 MAPT (0.62) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL528502 0.84 MAPT (0.65) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL528332 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHTTNPSR1GAA

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