SCHEMBL7205105

SCHEMBL7205105

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ACHE P22303 4/20 0.32
BCHE P06276 1/20 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
SCHEMBL7207482 0.89 LMNA (0.35) LMNAALDH1A1MAPTHTTHSD17B10
SCHEMBL3825844 0.86 LMNA (0.41) LMNAALDH1A1MAPTKDM4E
SCHEMBL7204740 0.84 TSHR (0.38) LMNAALDH1A1MAPTHSD17B10MEN1
SCHEMBL7212661 0.81 CSNK2A2 (0.37) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL7206799 0.79 LMNA (0.33) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7212657 0.76 NAAA (0.43) RECQLLMNAMEN1KMT2AGAA
SCHEMBL7205833 0.74 ALDH1A1 (0.42) RECQLLMNAALDH1A1MAPTHSD17B10
SCHEMBL7205752 0.73 BCHE (0.41) ALDH1A1ACHEBCHE
SCHEMBL7212676 0.73 RAF1 (0.33) KMT2A
SCHEMBL8196590 0.72 LMNA (0.61) LMNA

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