SCHEMBL3713428

SCHEMBL3713428

CCOc1ccc(Cl)cc1-c1ccc(C(=O)NC(=N)NNC(N)=NC(=O)c2ccc(-c3cc(Cl)ccc3O)o2)o1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 14/20 0.63
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
S1PR4 O95977 4/20 0.38
S1PR5 Q9H228 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 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
SCHEMBL3709625 0.87 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDS1PR4S1PR5
SCHEMBL4943681 0.81 SLC9A1 (0.67) SLC9A1ALDH1A1HPGDS1PR4S1PR5
SCHEMBL3711899 0.79 SLC9A1 (0.59) SLC9A1ALDH1A1HPGDKDM4ENPC1
SCHEMBL4943685 0.79 SLC9A1 (1.00) SLC9A1ALDH1A1HPGD
SCHEMBL3722093 0.78 SLC9A1 (0.54) SLC9A1ALDH1A1HPGDS1PR4S1PR5
SCHEMBL3786003 0.76 SLC9A1 (0.57) SLC9A1ALDH1A1HPGD
SCHEMBL3711321 0.76 SLC9A1 (0.55) SLC9A1ALDH1A1S1PR4S1PR5S1PR2
SCHEMBL3713569 0.73 SLC9A1 (0.61) SLC9A1ALDH1A1HPGDS1PR4S1PR5
SCHEMBL3712694 0.73 SLC9A1 (0.61) SLC9A1ALDH1A1S1PR4MAPTS1PR2
SCHEMBL3719608 0.73 SLC9A1 (0.59) SLC9A1ALDH1A1HPGDS1PR4KDM4E

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