SCHEMBL4391074

SCHEMBL4391074

CCOC(=O)c1cn(CC)c2ccc(CCN)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
KMT2A Q03164 2/20 0.55
HPGD P15428 4/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.49
P2RX3 P56373 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 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
Iodide SCHEMBL4391070 0.99 LMNA (0.67) LMNAKMT2AHPGDMEN1MAPT
Trifluoroacetic Acid SCHEMBL27693949 0.94 LMNA (0.61) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3978265 0.93 LMNA (0.65) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL4391354 0.91 LMNA (0.71) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL27713849 0.90 LMNA (0.69) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL7284037 0.89 LMNA (0.76) LMNAKMT2AHPGDMEN1MAPT
Trifluoroacetic Acid SCHEMBL4392488 0.88 LMNA (0.59) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL4172191 0.88 LMNA (0.67) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL3810029 0.86 LMNA (0.74) LMNAKMT2AHPGDMEN1MAPT
SCHEMBL5681141 0.85 LMNA (0.54) LMNAKMT2AHPGDMEN1MAPT

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