SCHEMBL4002432

SCHEMBL4002432

COc1ccc(-c2oc3ccc(C(C(C)=O)N4CCCCC4)cc3c2SC)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 4/20 0.39
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCB1 P08183 2/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
NPC1 O15118 3/20 0.37
PDE4A P27815 1/20 0.37
P4HB P07237 1/20 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
SCHEMBL4000459 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL4001686 0.88 MAPT (0.42) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL4003027 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL3996885 0.83 ABCB1 (0.39) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL4003849 0.80 ACHE (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2997489 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL4000385 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AACHETSHR
SCHEMBL3002062 0.77 HTT (0.50) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL3001432 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL4000436 0.76 MEN1 (0.41) ALDH1A1KDM4EMEN1CYP3A4MAPT

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