SCHEMBL529361

SCHEMBL529361

CCOc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(=O)(=O)C2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
MRGPRX1 Q96LB2 6/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSPO P30536 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL529288 0.91 MAPT (0.58) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL528865 0.88 ALDH1A1 (0.54) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL528045 0.88 MAPT (0.61) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL528675 0.88 MAPT (0.51) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528515 0.86 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL528552 0.86 KDM4E (0.64) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL528572 0.84 RXFP1 (0.48) ALDH1A1MAPTMRGPRX1RAB9ATSPO
SCHEMBL528269 0.83 NPSR1 (0.53) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL528277 0.82 MAPT (0.62) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL528351 0.81 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDHTT

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