SCHEMBL3795202

SCHEMBL3795202

N=C(NNC(N)=NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.61
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3712980 0.89 SLC9A1 (0.56) SLC9A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL3707944 0.84 SLC9A1 (0.52) SLC9A1CYP1A2CYP2C19KDM4EKMT2A
SCHEMBL3719608 0.83 SLC9A1 (0.59) SLC9A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL3709278 0.83 SLC9A1 (0.59) SLC9A1KDM4EKMT2AHPGDALDH1A1
SCHEMBL3710904 0.82 SLC9A1 (0.56) SLC9A1KDM4EHPGDALDH1A1
SCHEMBL3714359 0.82 SLC9A1 (0.61) SLC9A1KDM4EKMT2AALDH1A1MEN1
SCHEMBL3712739 0.80 MAPT (0.56) KDM4EKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3788349 0.78 SLC9A1 (0.55) SLC9A1KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL3720065 0.78 SLC9A1 (0.55) SLC9A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL3714406 0.77 SLC9A1 (0.51) SLC9A1

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