SCHEMBL4001884

SCHEMBL4001884

COc1ccc(-c2oc3ccc(C(C=O)N4CCC(C)CC4)cc3c2SC)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.37
ABCG2 Q9UNQ0 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
FYN P06241 1/20 0.32
GAK O14976 1/20 0.32

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
SCHEMBL3996885 0.91 ABCB1 (0.39) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL4003027 0.90 ALDH1A1 (0.40) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL4000457 0.88 ABCB1 (0.37) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL4004837 0.85 ABCG2 (0.39) ABCB1ABCG2MAPTMEN1KMT2A
SCHEMBL4002142 0.83 KMT2A (0.44) ABCG2MEN1KMT2AALDH1A1
SCHEMBL4007345 0.82 MEN1 (0.38) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL4007071 0.80 MEN1 (0.37) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL3998431 0.80 LMNA (0.40) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL3999096 0.77 ACHE (0.41) MAPTMEN1KMT2AALDH1A1
SCHEMBL2997779 0.75 HTT (0.48) MAPTMEN1KMT2AKDM4EALDH1A1

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 4 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
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 disclosed
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 disclosed