SCHEMBL4003849

SCHEMBL4003849

COc1cc(-c2oc3ccc(C(C(C)=O)N4CCN(Cc5ccccc5)CC4)cc3c2SC)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4000385 0.88 ALDH1A1 (0.40) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL3999096 0.88 ACHE (0.41) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL4007026 0.87 ACHE (0.40) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL4000459 0.86 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3011145 0.82 ACHE (0.49) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL4003846 0.82 ACHE (0.43) ACHEGAAALDH1A1ALOX12MAPT
SCHEMBL4001686 0.82 MAPT (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3010624 0.81 ACHE (0.47) ACHEKMT2AGAAALDH1A1ALOX12
SCHEMBL4002142 0.81 KMT2A (0.44) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL4002432 0.80 ALDH1A1 (0.40) ACHEMEN1KMT2AALDH1A1MAPT

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 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