SCHEMBL11874599

SCHEMBL11874599

NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 5/20 0.72
▸ CA12 O43570 9/20 0.58
▸ CA1 P00915 9/20 0.58
▸ CA2 P00918 9/20 0.58
▸ CA6 P23280 8/20 0.58
▸ CA7 P43166 8/20 0.58
▸ CA14 Q9ULX7 8/20 0.58
▸ CA9 Q16790 8/20 0.58
▸ CA3 P07451 7/20 0.58
▸ CA13 Q8N1Q1 7/20 0.58
▸ CA5B Q9Y2D0 7/20 0.58
▸ CA5A P35218 7/20 0.58
▸ ACLY P53396 2/20 0.53
▸ CA4 P22748 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HSD11B1 P28845 1/20 0.50
▸ SLC10A1 Q14973 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL11875494 0.84 CISD1 (0.73) CISD1CA12CA1CA2CA6
SCHEMBL11873603 0.84 CISD1 (0.73) CISD1CA12CA1CA2CA6
SCHEMBL1716052 0.84 CISD1 (1.00) CISD1CA12CA1CA2CA6
SCHEMBL10963208 0.81 CISD1 (0.70) CISD1CA12CA1CA2CA6
SCHEMBL11790092 0.81 CISD1 (0.70) CISD1CA12CA1CA2CA6
SCHEMBL11705514 0.80 CISD1 (0.67) CISD1CA12CA1CA2CA6
SCHEMBL10962539 0.79 CISD1 (0.66) CISD1CA12CA1CA2CA6
SCHEMBL12418658 0.79 CISD1 (0.81) CISD1CA12CA1CA2CA6
SCHEMBL11198982 0.77 CISD1 (0.64) CISD1CA12CA1CA2CA6
SCHEMBL8804524 0.76 GAA (0.63) 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-3959261-A DIURETICS, SALURETICS BOEHRINGER MANNHEIM GMBH (DT) 1976-05-25 — — US disclosed
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