SCHEMBL5168657

SCHEMBL5168657

C=CCN(CCOC)CCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 7/20 0.35
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
OPRK1 P41145 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
ATM Q13315 2/20 0.31
HPGD P15428 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HRH2 P25021 1/20 0.30

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
SCHEMBL11303924 0.95 KMT2A (0.44) KMT2AMEN1POLBKDM4ESMN1; SMN2
Bromide SCHEMBL11338648 0.93 KMT2A (0.43) KMT2AMEN1POLBKDM4ESMN1; SMN2
SCHEMBL22519797 0.89 KMT2A (0.50) KMT2AMEN1POLBKDM4ESMN1; SMN2
SCHEMBL23135187 0.86 KDM4E (0.39) KMT2AMEN1POLBKDM4ESMN1; SMN2
SCHEMBL12717294 0.81 KDM4E (0.42) KMT2AMEN1POLBKDM4ESMN1; SMN2
SCHEMBL2623218 0.79 ALDH1A1 (0.38) KMT2AMEN1POLBKDM4ESMN1; SMN2
SCHEMBL19027899 0.79 KDM4E (0.36) KMT2AMEN1POLBKDM4ETDP1
SCHEMBL18353998 0.78
SCHEMBL26292503 0.75 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1PIK3CD
SCHEMBL10326297 0.75 KDM4E (0.41) KMT2AMEN1POLBKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed