SCHEMBL2010237

SCHEMBL2010237

CN(C(=O)c1nc2ncccn2n1)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.58
HCRTR2 O43614 2/20 0.58
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PADI4 Q9UM07 3/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6919977 0.84 HCRTR1 (0.58) HCRTR1HCRTR2RAB9ANPC1LMNA
SCHEMBL2012177 0.84 HCRTR1 (0.58) HCRTR1HCRTR2RAB9ANPC1ALDH1A1
SCHEMBL2011775 0.84 HCRTR1 (0.58) HCRTR1HCRTR2RAB9ANPC1LMNA
SCHEMBL2014746 0.81 HCRTR1 (0.61) HCRTR1HCRTR2RAB9ANPC1PADI4
SCHEMBL2015191 0.80 HCRTR1 (0.62) HCRTR1HCRTR2RAB9ANPC1KMT2A
SCHEMBL13139060 0.80 HCRTR1 (0.77) HCRTR1HCRTR2RAB9ANPC1KMT2A
SCHEMBL2011910 0.80 HCRTR1 (0.69) HCRTR1HCRTR2RAB9ANPC1SMN1; SMN2
SCHEMBL2012888 0.80 HCRTR1 (0.62) HCRTR1HCRTR2RAB9ANPC1MEN1
SCHEMBL2015844 0.80 HCRTR1 (0.62) HCRTR1HCRTR2RAB9ANPC1MEN1
SCHEMBL2016685 0.80 HCRTR1 (0.66) HCRTR1HCRTR2RAB9ANPC1ALDH1A1

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 1 patent. 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 disclosed