SCHEMBL8260766

SCHEMBL8260766

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN2 P17706 1/20 0.34
HDAC1 Q13547 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CLK1 P49759 5/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PPARA Q07869 1/20 0.32
STING1 Q86WV6 3/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32

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
SCHEMBL3506115 0.91 LMNA (0.41) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL5809222 0.86 KMT2A (0.43) MEN1MAPTKMT2ALMNAPTPN2
SCHEMBL5817018 0.81 MEN1 (0.40) MEN1MAPTKMT2ALMNAPTPN2
SCHEMBL8260265 0.80 MEN1 (0.38) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL8259037 0.80 LMNA (0.41) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL5809384 0.78 HDAC1 (0.39) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL8259238 0.77 LMNA (0.44) LMNAPOLBHDAC1L3MBTL1
SCHEMBL5809689 0.77 HDAC1 (0.43) LMNAHDAC1L3MBTL1
SCHEMBL3653587 0.73 SMN1; SMN2 (0.45) MEN1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL8258990 0.68

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 1 patent. 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