SCHEMBL7205833

SCHEMBL7205833

C#Cc1c[nH]c(=O)nc1NC(=O)OCCSc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 6/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7206799 0.84 LMNA (0.33) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL7212657 0.81 NAAA (0.43) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL7212661 0.80 CSNK2A2 (0.37) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL3825844 0.78 LMNA (0.41) ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL7204740 0.76 TSHR (0.38) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL7207482 0.75 LMNA (0.35) ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL7205752 0.74 BCHE (0.41) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7211153 0.74 KDM4E (0.30) ALDH1A1TSHRMAPTKDM4EHSD17B10
SCHEMBL7205105 0.74 RECQL (0.37) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7204714 0.74 MEN1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A

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