SCHEMBL7207482

SCHEMBL7207482

C#Cc1c[nH]c(=O)nc1NC(=O)OCCCNC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7205105 0.89 RECQL (0.37) LMNAALDH1A1HRH3BCHEACHE
SCHEMBL3825844 0.85 LMNA (0.41) LMNAALDH1A1L3MBTL1MAPTHPGD
SCHEMBL7204740 0.83 TSHR (0.38) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7212661 0.83 CSNK2A2 (0.37) LMNAMEN1KMT2AHTT
SCHEMBL7206799 0.81 LMNA (0.33) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7205833 0.75 ALDH1A1 (0.42) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7212676 0.75 RAF1 (0.33) KMT2A
SCHEMBL7211153 0.75 KDM4E (0.30) ALDH1A1MAPTHSD17B10
SCHEMBL7208761 0.73 BCHE (0.39) ALDH1A1BCHEACHEHTTRAB9A
SCHEMBL7206793 0.73 BCHE (0.39) ALDH1A1BCHEACHEHTTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed