SCHEMBL7206799

SCHEMBL7206799

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 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 0.89 SMN1; SMN2 (0.34) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL7212661 0.86 CSNK2A2 (0.37) LMNATSHRMEN1KMT2ANPSR1
SCHEMBL7205833 0.84 ALDH1A1 (0.42) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL3825844 0.84 LMNA (0.41) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7211153 0.82 KDM4E (0.30) ALDH1A1TSHRMAPT
SCHEMBL7204740 0.82 TSHR (0.38) LMNAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL7204392 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL7207482 0.81 LMNA (0.35) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7205105 0.79 RECQL (0.37) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7205752 0.78 BCHE (0.41) ALDH1A1TSHRSMN1; SMN2

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