SCHEMBL4650530

SCHEMBL4650530

CN(CCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 4/20 0.66
▸ CA12 O43570 4/20 0.66
▸ CA1 P00915 4/20 0.66
▸ CA2 P00918 4/20 0.66
▸ CA6 P23280 4/20 0.66
▸ CA5A P35218 4/20 0.66
▸ CA7 P43166 4/20 0.66
▸ CA9 Q16790 4/20 0.66
▸ CA14 Q9ULX7 4/20 0.66
▸ CA5B Q9Y2D0 4/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ HTR1A P08908 1/20 0.66
▸ CA4 P22748 1/20 0.66
▸ HSD11B1 P28845 1/20 0.66
▸ SLC10A1 Q14973 1/20 0.66
▸ GPR35 Q9HC97 1/20 0.66
▸ ABCG2 Q9UNQ0 1/20 0.66
▸ APP P05067 9/20 0.57
▸ AQP1 P29972 1/20 0.56
▸ TEX264 Q9Y6I9 1/20 0.53

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
SCHEMBL10540427 0.87 CISD1 (0.67) CISD1CA12CA1CA2CA6
SCHEMBL4017062 0.87 CA12 (0.67) CISD1CA12CA1CA2CA6
SCHEMBL4412903 0.86 CISD1 (0.76) CISD1CA12CA1CA2CA6
SCHEMBL2947218 0.85 CA12 (0.72) CISD1CA12CA1CA2CA6
SCHEMBL17000509 0.85 CA12 (0.71) CISD1CA12CA1CA2CA6
SCHEMBL5153664 0.85 CA12 (0.74) CISD1CA12CA1CA2CA6
SCHEMBL229243 0.85 CA1 (0.74) CISD1CA12CA1CA2CA6
SCHEMBL230612 0.84 CISD1 (0.68) CISD1CA12CA1CA2CA6
SCHEMBL232187 0.84 CA12 (0.70) CISD1CA12CA1CA2CA6
SCHEMBL12418670 0.84 CISD1 (0.70) CISD1CA12CA1CA2CA6

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
EP-1968603-A2 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS Algebra Inc. (US) 2008-09-17 — — EP disclosed
WO-2007079470-A2 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2007-07-12 — — WO disclosed
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