SCHEMBL3717422

SCHEMBL3717422

COc1cccc(-c2ccc(C(=O)NC(=N)NNC(N)=NC(=O)c3ccc(-c4c(OC)cccc4OC)o3)o2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 17/20 0.48
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 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
SCHEMBL3719464 0.90 SLC9A1 (0.54) SLC9A1KDM4EALDH1A1HSD17B10TDP1
SCHEMBL3711949 0.82 SLC9A1 (0.56) SLC9A1KDM4EALDH1A1HSD17B10TDP1
SCHEMBL3710586 0.80 SLC9A1 (0.58) SLC9A1KDM4EALDH1A1HSD17B10TDP1
SCHEMBL4943762 0.79 ABCB1 (0.48) SLC9A1ABCB1KDM4EALDH1A1HSD17B10
SCHEMBL3707944 0.79 SLC9A1 (0.52) SLC9A1KDM4EALDH1A1HSD17B10TDP1
SCHEMBL3713926 0.77 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1HSD17B10TDP1
SCHEMBL3712694 0.77 SLC9A1 (0.61) SLC9A1ALDH1A1MAPT
SCHEMBL4943767 0.77 SLC9A1 (0.79) SLC9A1
SCHEMBL3786003 0.76 SLC9A1 (0.57) SLC9A1ALDH1A1HPGD
SCHEMBL3711899 0.76 SLC9A1 (0.59) SLC9A1KDM4EALDH1A1MAPTRAB9A

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
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO claimed
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO disclosed