SCHEMBL7212657

SCHEMBL7212657

C#Cc1c[nH]c(=O)nc1NC(=O)OCCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
ROCK2 O75116 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL7204740 0.84 TSHR (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7205833 0.81 ALDH1A1 (0.42) SMN1; SMN2RECQLMEN1KMT2AGAA
SCHEMBL3825844 0.80 LMNA (0.41) NAAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7204714 0.78 MEN1 (0.47) MEN1KMT2ACHRNA7POLBLMNA
SCHEMBL7207482 0.77 LMNA (0.35) SMN1; SMN2RAB9AMEN1KMT2ABCHE
SCHEMBL7205105 0.76 RECQL (0.37) RECQLMEN1KMT2ABCHEACHE
SCHEMBL7205752 0.74 BCHE (0.41) SMN1; SMN2NPC1RAB9ABCHEACHE
SCHEMBL8193744 0.72 LMNA (0.56) NAAALMNA
SCHEMBL7210398 0.72 LMNA (0.56) NAAALMNA
SCHEMBL14609868 0.71 ROCK2 (0.46) NAAASMN1; SMN2NPC1RECQLRAB9A

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