SCHEMBL4003793

SCHEMBL4003793

COc1cc(-c2oc3ccc(CC(=O)CN4CCOCC4)cc3c2SC)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.42
CSNK2B P67870 3/20 0.42
CSNK2A1 P68400 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
BCL9 O00512 3/20 0.38
CTNNB1 P35222 3/20 0.38
MAPT P10636 3/20 0.38
AMY1A P0DUB6 1/20 0.38
PTPN1 P18031 1/20 0.38
DPP4 P27487 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4005421 0.91 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL4003846 0.89 ACHE (0.43) CSNK2A2CSNK2BCSNK2A1MAPTALDH1A1
SCHEMBL3010725 0.88 HTT (0.53) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL4000382 0.86 GRIN1 (0.48) HTTALDH1A1MEN1LMNAHPGD
SCHEMBL3009750 0.83 FKBP1A (0.47) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL3001735 0.83 ALDH1A1 (0.55) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL3002368 0.82 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL3001522 0.82 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL3006035 0.82 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2MAPT
SCHEMBL3001825 0.81 MAPT (0.43) CSNK2A2CSNK2BCSNK2A1SMN1; SMN2BCL9

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