SCHEMBL11217820

SCHEMBL11217820

CN(c1ccccc1)c1cc(NCc2ccccc2)c(S(=O)(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.48
▸ CA1 P00915 15/20 0.46
▸ CA2 P00918 15/20 0.46
▸ CA12 O43570 13/20 0.46
▸ CA9 Q16790 11/20 0.46
▸ CA7 P43166 9/20 0.46
▸ CA13 Q8N1Q1 8/20 0.46
▸ CA14 Q9ULX7 8/20 0.46
▸ CA3 P07451 7/20 0.46
▸ CA6 P23280 7/20 0.46
▸ CA5A P35218 6/20 0.46
▸ CA5B Q9Y2D0 6/20 0.46
▸ CA4 P22748 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ P2RY4 P51582 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL10962539 0.86 CISD1 (0.66) CISD1CA1CA2CA12CA9
SCHEMBL11226942 0.85 ALDH1A1 (0.52) CISD1CA1CA2CA12CA9
SCHEMBL11231644 0.85 CISD1 (0.52) CISD1CA1CA2CA7CA13
SCHEMBL10963452 0.82 CISD1 (0.47) CISD1CA1CA2CA12CA9
SCHEMBL11381881 0.79 CA1 (0.51) CISD1CA1CA2CA12CA9
SCHEMBL11023900 0.77 ALDH1A1 (0.43) CISD1CA1CA2CA12CA9
SCHEMBL11075622 0.76 CISD1 (0.39) CISD1CA1CA2CA12CA9
SCHEMBL11115185 0.76 CISD1 (0.39) CISD1CA1CA2CA12CA9
SCHEMBL11075618 0.76 CISD1 (0.39) CISD1CA1CA2CA12CA9
Sulfuric Acid SCHEMBL11157508 0.75 CA1 (0.50) CISD1CA1CA2CA12CA9

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-4341773-A 2,4-Diamino-5-sulfamoylbenzene sulfonic acids and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-27 — — US disclosed
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