SCHEMBL2013932

SCHEMBL2013932

COc1cccc(C(=O)NCCC(Cc2ccccc2)N(C)C(=O)c2coc3ccccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
KLKB1 P03952 1/20 0.39
PSMB5 P28074 2/20 0.39
MAOB P27338 3/20 0.37
CTSA P10619 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
RAD52 P43351 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
SCHEMBL2053123 1.00 KMT2A (0.40) KMT2AMEN1HCRTR1HCRTR2KLKB1
SCHEMBL2054334 0.89 HCRTR1 (0.43) KMT2AMEN1HCRTR1HCRTR2MAOB
SCHEMBL2013937 0.89 HCRTR1 (0.43) KMT2AMEN1HCRTR1HCRTR2MAOB
SCHEMBL2016502 0.83 HCRTR1 (0.49) KMT2AMEN1HCRTR1HCRTR2KLKB1
SCHEMBL2012216 0.80 EPHX2 (0.47) KMT2AMEN1HCRTR1HCRTR2KLKB1
SCHEMBL2011408 0.79 HCRTR1 (0.43) KMT2AHCRTR1HCRTR2KLKB1CTSA
SCHEMBL2013880 0.79 HCRTR1 (0.46) KMT2AMEN1HCRTR1HCRTR2KLKB1
SCHEMBL6919106 0.79 HCRTR1 (0.43) KMT2AHCRTR1HCRTR2KLKB1CTSA
SCHEMBL2017304 0.79 HCRTR1 (0.43) KMT2AHCRTR1HCRTR2KLKB1CTSA
SCHEMBL2016670 0.78 HCRTR1 (0.40) KMT2AHCRTR1HCRTR2MAOBL3MBTL1

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
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO claimed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed