SCHEMBL3712980

SCHEMBL3712980

N=C(NNC(N)=NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.56
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 7/20 0.44
LMNA P02545 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3795202 0.89 SLC9A1 (0.61) SLC9A1CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL3788349 0.87 SLC9A1 (0.55) SLC9A1ALDH1A1LMNATDP1MAPT
SCHEMBL3720065 0.81 SLC9A1 (0.55) SLC9A1ALDH1A1LMNAMAPTPOLB
SCHEMBL3714406 0.80 SLC9A1 (0.51) SLC9A1
SCHEMBL3707944 0.80 SLC9A1 (0.52) SLC9A1CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL3713656 0.80 SLC9A1 (0.55) SLC9A1ALDH1A1LMNATDP1MAPT
SCHEMBL3716474 0.80 SLC9A1 (0.55) SLC9A1ALDH1A1LMNAMAPTPOLB
SCHEMBL3711949 0.78 SLC9A1 (0.56) SLC9A1ALDH1A1TDP1MAPTHPGD
SCHEMBL3709712 0.78 SLC9A1 (0.56) SLC9A1ALDH1A1LMNATDP1MAPT
SCHEMBL3710904 0.77 SLC9A1 (0.56) SLC9A1ALDH1A1LMNAHPGDKDM4E

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