SCHEMBL8068547

SCHEMBL8068547

Cc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c(S(C)(=O)=O)cc1C(=O)NC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN9A Q15858 1/20 0.39
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 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
SCHEMBL8068785 0.89 ALDH1A1 (0.40) LMNAALDH1A1HTTSMN1; SMN2SCN9A
SCHEMBL8059376 0.89 SCN9A (0.44) LMNAALDH1A1HTTSMN1; SMN2SCN9A
SCHEMBL8059561 0.87 MRGPRX1 (0.41) SCN9A
Hydrochloric Acid SCHEMBL8073473 0.83 THRA (0.36)
SCHEMBL8059368 0.78 SCN9A (0.38) SCN9A
SCHEMBL8070496 0.76 MRGPRX1 (0.43)
SCHEMBL8070524 0.76 FLT1 (0.42) SCN9A
Rimeporide SCHEMBL1019630 0.75 SLC9A1 (0.55)
Rimeporide SCHEMBL29404681 0.75 SLC9A1 (0.55)
Rimeporide SCHEMBL1021018 0.74 SLC9A1 (0.54)

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