SCHEMBL9058320

SCHEMBL9058320

C#CCNCC1=Cc2cc(S(N)(=O)=O)sc2SN1c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.42
CA4 P22748 2/20 0.42
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL9057077 0.88 CA2 (0.44) CA2CA4
SCHEMBL9057426 0.83 CA2 (0.37) CA2CA4
SCHEMBL9058101 0.82 CA2 (0.33) CA2CA4
Hydrochloric Acid SCHEMBL8950237 0.79 CA2 (0.62) CA2CA4
SCHEMBL9058131 0.77 CA2 (0.67) CA2CA4
SCHEMBL9058810 0.76 CA2 (0.32) CA2
SCHEMBL9057841 0.76 CA2 (0.36) CA2
SCHEMBL9057333 0.73 CA2 (0.47) CA2CA4ALOX15
SCHEMBL677635 0.71 CA2 (0.51) CA2CA4
SCHEMBL9058837 0.66 CA2 (0.68) CA2CA4

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-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed