SCHEMBL529288

SCHEMBL529288

COc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C2CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 4/20 0.58
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.48
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MLYCD O95822 1/20 0.44

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
SCHEMBL529361 0.91 ALDH1A1 (0.50) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528277 0.90 MAPT (0.62) MAPTHTTKDM4EPOLBALDH1A1
SCHEMBL527892 0.88 MAPT (0.73) MAPTHTTKDM4EPOLBALDH1A1
SCHEMBL528675 0.87 MAPT (0.51) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528229 0.87 MAPT (0.62) MAPTHTTKDM4EPOLBALDH1A1
SCHEMBL528853 0.85 MAPT (0.75) MAPTHTTKDM4EPOLBALDH1A1
SCHEMBL528566 0.85 MAPT (0.59) MAPTHTTKDM4EPOLBALDH1A1
SCHEMBL528269 0.84 NPSR1 (0.53) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL528274 0.84 L3MBTL1 (0.47) MAPTHTTKDM4EPOLBALDH1A1
SCHEMBL528351 0.83 MAPT (0.48) MAPTHTTKDM4EPOLBALDH1A1

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