SCHEMBL5234446

SCHEMBL5234446

Cc1noc2nc(CC(C)CN)n(Cc3cccc(F)c3)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
SLC26A6 Q9BXS9 1/20 0.41
KIF11 P52732 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
PDE1A P54750 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
SCHEMBL5237790 0.91 SLC26A6 (0.41) BRD4SLC26A6KIF11SMN1; SMN2MAPT
SCHEMBL4059248 0.90 SLC26A6 (0.43) BRD4SLC26A6KIF11SMN1; SMN2MAPT
SCHEMBL6208130 0.88 KIF11 (0.48) BRD4SLC26A6KIF11SMN1; SMN2MAPT
SCHEMBL3958081 0.81 KIF11 (0.55) KIF11
SCHEMBL4058305 0.81 KIF11 (0.44) BRD4SLC26A6KIF11MAPTTHRB
SCHEMBL4060901 0.79 KIF11 (0.42) BRD4SLC26A6KIF11MAPTTHRB
SCHEMBL5233038 0.78 SLC26A6 (0.39) BRD4SLC26A6KIF11SMN1; SMN2MAPT
SCHEMBL6208219 0.78 SMN1; SMN2 (0.45) BRD4SLC26A6KIF11SMN1; SMN2MAPT
SCHEMBL4043063 0.78 SMN1; SMN2 (0.44) SLC26A6KIF11SMN1; SMN2ALDH1A1HPGD
SCHEMBL3901729 0.78 SMN1; SMN2 (0.48) SLC26A6KIF11SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO disclosed