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SCHEMBL3715192

SCHEMBL3715192

N=C(NNC(N)=NC(=O)c1ccc(-c2ccc(F)cc2F)o1)NC(=O)c1ccc(-c2cc(F)ccc2F)o1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 14/20 0.59
▸ S1PR2 O95136 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ MGAM O43451 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ SI P14410 2/20 0.43
▸ MGAM2 Q2M2H8 2/20 0.43
▸ PDE4B Q07343 3/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL3719227 0.91 SLC9A1 (0.57) SLC9A1S1PR2S1PR4MGAMGAA
SCHEMBL3710587 0.89 SLC9A1 (0.55) SLC9A1S1PR2S1PR4
SCHEMBL3714112 0.88 SLC9A1 (0.56) SLC9A1S1PR2S1PR4
SCHEMBL3720065 0.84 SLC9A1 (0.55) SLC9A1MGAMGAASIMGAM2
SCHEMBL3712694 0.81 SLC9A1 (0.61) SLC9A1S1PR2S1PR4
SCHEMBL3786003 0.80 SLC9A1 (0.57) SLC9A1
SCHEMBL3710904 0.79 SLC9A1 (0.56) SLC9A1
SCHEMBL4942384 0.78 SLC9A1 (0.61) SLC9A1S1PR2S1PR4MGAMGAA
SCHEMBL3714391 0.78 SLC9A1 (0.53) SLC9A1S1PR2S1PR4GAA
SCHEMBL3719714 0.77 SLC9A1 (0.53) 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 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