SCHEMBL528415

SCHEMBL528415

CCOc1ccccc1NC(=O)c1cccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 2/20 0.48
PARP1 P09874 1/20 0.47
POLB P06746 1/20 0.47
KCNH2 Q12809 1/20 0.47
AHR P35869 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
SCHEMBL528501 0.92 ALDH1A1 (0.52) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL528045 0.91 MAPT (0.61) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL527908 0.91 MAPT (0.61) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL528588 0.88 NPSR1 (0.56) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL528224 0.88 ALDH1A1 (0.56) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL529217 0.88 MEN1 (0.52) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL528832 0.87 MAPT (0.53) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL529222 0.85 ALDH1A1 (0.53) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL527913 0.84 ALDH1A1 (0.51) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL528469 0.84 ALDH1A1 (0.57) LMNAMAPTHTTALDH1A1KDM4E

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