SCHEMBL4396944

SCHEMBL4396944

CCOC(=O)c1cn(CC)c2ccc(C#N)cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
HPGD P15428 4/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
POLB P06746 1/20 0.53
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
STAT3 P40763 1/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL7129506 0.88 LMNA (0.69) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3982923 0.85 LMNA (0.65) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL7126369 0.84 LMNA (0.64) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL7285360 0.84 LMNA (0.77) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3816295 0.83 LMNA (0.76) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL7284037 0.83 LMNA (0.76) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL1429954 0.82 LMNA (0.74) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3819905 0.82 LMNA (1.00) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3810029 0.82 LMNA (0.74) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL13799057 0.80 LMNA (0.56) LMNAHPGDKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628990-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101588-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed