SCHEMBL529032

SCHEMBL529032

COc1cccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.77
LMNA P02545 4/20 0.77
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL528901 0.91 MAPT (0.74) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL528794 0.90 MAPT (0.62) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL529003 0.90 MAPT (0.66) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL527890 0.89 MAPT (0.62) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL528683 0.89 MAPT (0.77) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL529579 0.88 MAPT (0.61) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL528499 0.87 MAPT (0.63) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL528590 0.87 MAPT (0.63) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL527969 0.87 MAPT (0.60) MAPTLMNAKMT2AKDM4EALDH1A1
SCHEMBL528238 0.86 MAPT (0.59) MAPTLMNAKMT2AKDM4EALDH1A1

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