SCHEMBL7498041

SCHEMBL7498041

CCOC(=O)C[C@H]1NCCNC1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.62
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL643035 1.00 GLA (0.62) GLAPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL12641073 0.91 POLB (0.53) GLAPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL3545687 0.83 GLA (0.57) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL7093218 0.83 GLA (0.57) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL4518744 0.79 GLA (0.53) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL4518742 0.79 GLA (0.53) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL5103440 0.77 TSHR (0.53) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL5109358 0.75 GLA (0.55) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL5921835 0.75 GLA (0.55) GLAL3MBTL1SMN1; SMN2LMNATSHR
SCHEMBL932446 0.75 POLB (0.53) POLBSMN1; SMN2LMNATSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO disclosed