SCHEMBL5809222

SCHEMBL5809222

COC(=O)c1cc2cc(N(CCO)C(=O)CC(C)(C)C)ccc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CLK1 P49759 8/20 0.39
DYRK1A Q13627 3/20 0.39
DYRK1B Q9Y463 1/20 0.39
LMNA P02545 2/20 0.38
PTPN2 P17706 1/20 0.37
HDAC1 Q13547 2/20 0.37
NR1H4 Q96RI1 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CLK2 P49760 1/20 0.35
PPARA Q07869 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5809689 0.90 HDAC1 (0.43) LMNAHDAC1L3MBTL1
SCHEMBL8260766 0.86 MEN1 (0.39) KMT2AMEN1MAPTCLK1DYRK1A
SCHEMBL5817018 0.86 MEN1 (0.40) KMT2AMEN1MAPTCLK1DYRK1A
SCHEMBL8260265 0.85 MEN1 (0.38) KMT2AMEN1MAPTCLK1DYRK1A
SCHEMBL8259238 0.81 LMNA (0.44) LMNAHDAC1L3MBTL1
SCHEMBL3506115 0.77 LMNA (0.41) KMT2AMEN1LMNAHDAC1L3MBTL1
SCHEMBL5809384 0.74 HDAC1 (0.39) KMT2AMEN1LMNAHDAC1L3MBTL1
SCHEMBL17149258 0.72 KMT2A (0.48) KMT2AMEN1MAPTCLK1DYRK1A
SCHEMBL15698872 0.71 MAPT (0.52) KMT2AMEN1MAPTCLK1DYRK1A
SCHEMBL2895953 0.71 MEN1 (0.64) KMT2AMEN1MAPTCLK1DYRK1A

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
WO-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO disclosed
WO-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO disclosed