SCHEMBL2011138

SCHEMBL2011138

CN(C(=O)c1ccc2nccnc2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
EPHX2 P34913 1/20 0.47
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.43
ALOX15 P16050 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2011137 1.00 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138970 0.88 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138994 0.88 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138976 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138952 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13139070 0.86 KMT2A (0.61) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13139067 0.86 KMT2A (0.52) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13139075 0.86 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138943 0.85 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138965 0.85 EPHX2 (0.49) HCRTR1HCRTR2EPHX2KMT2AMEN1

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