SCHEMBL3710904

SCHEMBL3710904

N=C(NNC(N)=NC(=O)c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 10/20 0.56
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
NQO2 P16083 3/20 0.46
PTPN1 P18031 1/20 0.42

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
SCHEMBL3709712 0.85 SLC9A1 (0.56) SLC9A1ALDH1A1HPGDKDM4ELMNA
SCHEMBL3720065 0.83 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDKDM4ELMNA
SCHEMBL3719608 0.82 SLC9A1 (0.59) SLC9A1ALDH1A1HPGDKDM4ELMNA
SCHEMBL3709278 0.82 SLC9A1 (0.59) SLC9A1ALDH1A1HPGDKDM4ENQO2
SCHEMBL3795202 0.82 SLC9A1 (0.61) SLC9A1ALDH1A1HPGDKDM4E
SCHEMBL3714359 0.82 SLC9A1 (0.61) SLC9A1ALDH1A1KDM4ELMNANQO2
SCHEMBL3719714 0.82 SLC9A1 (0.53) SLC9A1NQO2
SCHEMBL3719227 0.81 SLC9A1 (0.57) SLC9A1
SCHEMBL3707944 0.81 SLC9A1 (0.52) SLC9A1ALDH1A1HPGDKDM4ELMNA
SCHEMBL3711058 0.80 SLC9A1 (0.53) SLC9A1ALDH1A1HPGDKDM4ELMNA

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