SCHEMBL14101931

SCHEMBL14101931

Cc1cc(Br)cc(-c2nn(-c3cc(N4CCOCC4)ccc3N=O)c(=O)c3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 6/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 5/20 0.43
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 4/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 2/20 0.39
KIF11 P52732 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14102060 0.94 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14101750 0.87 GAA (0.49) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14102010 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14102011 0.85 SMN1; SMN2 (0.47) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4718836 0.85 MAPT (0.64) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14101809 0.83 GAA (0.56) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4723172 0.81 GAA (0.57) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL4722132 0.81 SMN1; SMN2 (0.74) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14101756 0.79 GAA (0.51) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL14102068 0.79 SMN1; SMN2 (0.45) SMN1; SMN2GAAMAPTLMNAMEN1

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