SCHEMBL11816758

SCHEMBL11816758

CS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 8/20 0.77
▸ CA12 O43570 6/20 0.62
▸ CA1 P00915 6/20 0.62
▸ CA2 P00918 6/20 0.62
▸ CA6 P23280 6/20 0.62
▸ CA7 P43166 6/20 0.62
▸ CA9 Q16790 6/20 0.62
▸ CA14 Q9ULX7 6/20 0.62
▸ CA5B Q9Y2D0 6/20 0.62
▸ CA3 P07451 5/20 0.62
▸ CA13 Q8N1Q1 5/20 0.62
▸ CA5A P35218 5/20 0.62
▸ APP P05067 4/20 0.56
▸ TEX264 Q9Y6I9 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ HSD11B1 P28845 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.54
▸ GPR35 Q9HC97 1/20 0.54

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
SCHEMBL1716052 0.87 CISD1 (1.00) CISD1CA12CA1CA2CA6
SCHEMBL11823275 0.84 CISD1 (0.57) CISD1CA12CA1CA2CA6
SCHEMBL11815670 0.83 CISD1 (0.55) CISD1CA12CA1CA2CA6
SCHEMBL11817302 0.82 APP (0.55) CISD1CA12CA1CA2CA6
SCHEMBL11820603 0.82 APP (0.80) CISD1CA12CA1CA2CA6
SCHEMBL6902427 0.81 CISD1 (0.54) CISD1CA12CA1CA2CA6
SCHEMBL12418658 0.80 CISD1 (0.81) CISD1CA12CA1CA2CA6
SCHEMBL13545223 0.79 CISD1 (0.80) CISD1CA12CA1CA2CA6
SCHEMBL18425099 0.78 CISD1 (0.78) CISD1CA12CA1CA2CA6
SCHEMBL13543235 0.78 CISD1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953476-A DIURETICS MERCK & CO., INC. (US) 1976-04-27 — — US disclosed
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