SCHEMBL9058428

SCHEMBL9058428

CCOCCCN1C=Cc2cc(S(N)(=O)=O)sc2S1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.34
CA4 P22748 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9057323 0.89 CA2 (0.43) CA2CA4CA12CA1CA6
SCHEMBL9058021 0.78 CA2 (0.34) CA2
SCHEMBL9058842 0.78 CA2 (0.47) CA2CA4
SCHEMBL8950293 0.78 CA2 (0.43) CA2CA4CA12CA1CA6
SCHEMBL9058827 0.73 CA2 (0.47) CA2CA4CA12CA1CA7
SCHEMBL9057829 0.71 KDM1A (0.37) CA2CA12CA1CA9
SCHEMBL9058096 0.69 CA2 (0.47) CA2CA4CA12CA1CA6
Hydrochloric Acid SCHEMBL9597515 0.66 CA2 (0.53) CA2CA4CA12CA1CA6
SCHEMBL9058306 0.66 CA2 (0.44) CA2CA4CA12CA1CA5A
SCHEMBL9058203 0.65 CA2 (0.44) 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