SCHEMBL7211153

SCHEMBL7211153

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7211139 0.78 SMN1; SMN2 (0.34) ALDH1A1MAPTTSHR
SCHEMBL3825844 0.77 LMNA (0.41) KDM4EALDH1A1MAPTMAPK1
SCHEMBL7205752 0.76 BCHE (0.41) ALDH1A1TSHR
SCHEMBL7212676 0.76 RAF1 (0.33)
SCHEMBL7204740 0.76 TSHR (0.38) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL7207482 0.75 LMNA (0.35) ALDH1A1MAPTHSD17B10
SCHEMBL7204392 0.75 MEN1 (0.31)
SCHEMBL7205833 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7205105 0.73 RECQL (0.37) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL7205111 0.70 LMNA (0.52) MAPTTSHR

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