SCHEMBL8070516

SCHEMBL8070516

CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(C(=O)N=C(N)N)cc2S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SLC9A2 Q9UBY0 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
SCHEMBL8070598 0.86 CA2 (0.45) CA1CA2
SCHEMBL8070514 0.85 CA2 (0.43) CA1CA2
Hydrochloric Acid SCHEMBL8071784 0.84 CA2 (0.42) CA1CA2
SCHEMBL8059484 0.83 SLC9A1 (0.50) SLC9A1SLC9A2
SCHEMBL8059406 0.81 SLC9A1 (0.47) SLC9A1SLC9A2
SCHEMBL8379275 0.78 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL8743807 0.78 SLC9A1 (0.55) SLC9A1SLC9A2
SCHEMBL8743810 0.77 SLC9A1 (0.54) SLC9A1SLC9A2
SCHEMBL8743797 0.77 SLC9A1 (0.54) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8743826 0.77 SLC9A1 (0.54) SLC9A1SLC9A2

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
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed