SCHEMBL3710587

SCHEMBL3710587

N=C(NNC(N)=NC(=O)c1ccc(-c2cc(F)ccc2F)o1)NC(=O)c1ccc(-c2cccc(F)c2F)o1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 17/20 0.55
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3715192 0.89 SLC9A1 (0.59) SLC9A1S1PR2S1PR4
SCHEMBL3720065 0.86 SLC9A1 (0.55) SLC9A1KDM4ERAB9ASMN1; SMN2HSD17B10
SCHEMBL3707411 0.85 SLC9A1 (0.54) SLC9A1S1PR4SMN1; SMN2MAPK1MAPT
SCHEMBL3714112 0.84 SLC9A1 (0.56) SLC9A1S1PR2S1PR4MAPK1ALDH1A1
SCHEMBL3719227 0.80 SLC9A1 (0.57) SLC9A1S1PR2S1PR4
SCHEMBL3714391 0.80 SLC9A1 (0.53) SLC9A1S1PR2S1PR4ALDH1A1MAPT
SCHEMBL3710586 0.79 SLC9A1 (0.58) SLC9A1KDM4ERAB9ASMN1; SMN2HSD17B10
SCHEMBL3719714 0.79 SLC9A1 (0.53) SLC9A1
SCHEMBL3712694 0.78 SLC9A1 (0.61) SLC9A1S1PR2S1PR4MAPK1ALDH1A1
SCHEMBL3710904 0.78 SLC9A1 (0.56) SLC9A1KDM4EALDH1A1

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