SCHEMBL3783647

SCHEMBL3783647

CC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCNCCN1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A9 P48067 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
SCHEMBL15347416 0.90 SLC6A9 (0.43) NR1H2SETD7GPR119USP2SMN1; SMN2
SCHEMBL1673065 0.90 SLC6A9 (0.43) NR1H2SETD7GPR119USP2SMN1; SMN2
Bromide SCHEMBL583319 0.89 NR1H2 (0.39) NR1H2SETD7GPR119USP2SMN1; SMN2
SCHEMBL13812253 0.88 SLC6A9 (0.44) NR1H2SETD7GPR119USP2SMN1; SMN2
SCHEMBL23235715 0.88 SLC6A9 (0.44) NR1H2SETD7GPR119USP2SMN1; SMN2
SCHEMBL18986043 0.88 NR1H2 (0.39) NR1H2SETD7GPR119USP2SMN1; SMN2
SCHEMBL9282186 0.81 SETD7 (0.43) NR1H2SETD7GPR119USP2SMN1; SMN2
Bromide SCHEMBL6428393 0.80 SETD7 (0.43) NR1H2SETD7GPR119USP2SMN1; SMN2
SCHEMBL2220355 0.78 USP2 (0.56) NR1H2USP2SMN1; SMN2KDM4EDDB1
SCHEMBL132585 0.78 USP2 (0.56) NR1H2USP2SMN1; SMN2KDM4EDDB1

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-2010084090-A1 PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. CIS BIO INTERNATIONAL (FR) 2010-07-29 WO disclosed