SCHEMBL4007026

SCHEMBL4007026

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 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
SCHEMBL4003862 0.93 KMT2A (0.42) ACHEMEN1KMT2AHTR1AHTR7
SCHEMBL3999096 0.90 ACHE (0.41) ACHETHRBMEN1KMT2AHTR1A
SCHEMBL4003849 0.87 ACHE (0.41) ACHETHRBMEN1KMT2AGAA
SCHEMBL4002142 0.82 KMT2A (0.44) ACHEMEN1KMT2AHTR1AHTR7
SCHEMBL3011145 0.79 ACHE (0.49) ACHEMEN1KMT2AGAAALDH1A1
SCHEMBL4003846 0.79 ACHE (0.43) ACHETHRBHTR1AHTR7HTR6
SCHEMBL3010624 0.78 ACHE (0.47) ACHEKMT2AHTR1AHTR7HTR6
SCHEMBL3998431 0.78 LMNA (0.40) THRBMEN1KMT2AHTR1AHTR7
SCHEMBL4007345 0.76 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1
SCHEMBL4000385 0.75 ALDH1A1 (0.40) ACHEMEN1KMT2AGAAALDH1A1

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