SCHEMBL4000436

SCHEMBL4000436

COc1ccc(-c2oc3ccc(C(C)CNC(C)=O)cc3c2SC)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCB1 P08183 2/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
PDE4A P27815 1/20 0.38
FYN P06241 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36

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
SCHEMBL2997489 0.82 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4001839 0.79 CSNK2A2 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3007395 0.79 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3000830 0.78 GAA (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4145508 0.78 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3016937 0.76 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4002432 0.76 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3999470 0.76 ABCB1 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4002259 0.76 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3002558 0.75 CA5A (0.46) MEN1KMT2AKDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed