SCHEMBL11226942

SCHEMBL11226942

CN(c1ccccc1)c1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ HSD11B1 P28845 1/20 0.52
▸ CA5A P35218 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ SLC10A1 Q14973 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.52
▸ CISD1 Q9NZ45 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ CA5B Q9Y2D0 1/20 0.52
▸ APP P05067 9/20 0.45
▸ TEX264 Q9Y6I9 1/20 0.45
▸ AQP1 P29972 1/20 0.41

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
SCHEMBL11023900 0.90 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11156538 0.89 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11199432 0.88 CISD1 (0.68) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL10965554 0.87 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11217820 0.85 CISD1 (0.48) CA12CA1CA2CA4CA6
SCHEMBL10962587 0.84 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11231644 0.82 CISD1 (0.52) ALDH1A1CA1CA2CA5ACA7
SCHEMBL11381779 0.81 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11381784 0.81 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2HTR1A
SCHEMBL11554422 0.81 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2HTR1A

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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