SCHEMBL14102010

SCHEMBL14102010

O=Nc1ccc(N2CCOCC2)cc1-n1nc(-c2cc(Br)cc(-c3ccno3)c2)c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 7/20 0.39
HTT P42858 5/20 0.39
HTR6 P50406 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ABCB1 P08183 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
CREBBP Q92793 1/20 0.33
KIF11 P52732 1/20 0.33
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32

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
SCHEMBL14101931 0.86 SMN1; SMN2 (0.54) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL4721488 0.86 MAPT (0.57) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101750 0.83 GAA (0.49) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14102060 0.81 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14102011 0.79 SMN1; SMN2 (0.47) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101809 0.78 GAA (0.56) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14101756 0.76 GAA (0.51) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL4722092 0.75 MAPT (0.66) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL14102068 0.74 SMN1; SMN2 (0.45) SMN1; SMN2GAAMAPTHTTHTR6
SCHEMBL4721133 0.73 MAPT (0.56) SMN1; SMN2GAAMAPTHTTHTR6

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed