SCHEMBL528832

SCHEMBL528832

CCc1ccccc1NC(=O)c1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
NPSR1 Q6W5P4 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KCNH2 Q12809 1/20 0.45
PARP1 P09874 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL527913 0.93 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL528224 0.91 ALDH1A1 (0.56) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL528338 0.91 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL529111 0.90 MAPT (0.64) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL529222 0.88 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL528469 0.87 ALDH1A1 (0.57) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL528415 0.87 LMNA (0.57) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL527908 0.87 MAPT (0.61) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL529319 0.86 LMNA (0.58) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL528098 0.84 MAPT (0.56) MAPTALDH1A1KDM4EHPGDMEN1

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