SCHEMBL3786003

SCHEMBL3786003

COc1ccc(F)cc1-c1ccc(C(=O)N=C(N)NNC(=N)NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)o1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 19/20 0.57
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3712694 0.88 SLC9A1 (0.61) SLC9A1ALDH1A1
SCHEMBL3713308 0.81 SLC9A1 (0.55) SLC9A1ALDH1A1HPGD
SCHEMBL3719227 0.81 SLC9A1 (0.57) SLC9A1
SCHEMBL3715192 0.80 SLC9A1 (0.59) SLC9A1
SCHEMBL3722093 0.80 SLC9A1 (0.54) SLC9A1ALDH1A1HPGD
SCHEMBL3709625 0.79 SLC9A1 (0.55) SLC9A1ALDH1A1HPGD
SCHEMBL3711949 0.79 SLC9A1 (0.56) SLC9A1ALDH1A1HPGD
SCHEMBL3713569 0.78 SLC9A1 (0.61) SLC9A1ALDH1A1HPGD
SCHEMBL3707944 0.78 SLC9A1 (0.52) SLC9A1ALDH1A1HPGD
SCHEMBL3714112 0.78 SLC9A1 (0.56) SLC9A1ALDH1A1HPGD

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