SCHEMBL11841241

SCHEMBL11841241

NS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.53
▸ CA2 P00918 11/20 0.47
▸ CA12 O43570 10/20 0.47
▸ CA1 P00915 10/20 0.47
▸ CA9 Q16790 8/20 0.47
▸ CA7 P43166 8/20 0.47
▸ CA13 Q8N1Q1 8/20 0.47
▸ CA3 P07451 7/20 0.47
▸ CA6 P23280 7/20 0.47
▸ CA14 Q9ULX7 7/20 0.47
▸ CA5B Q9Y2D0 6/20 0.47
▸ CA5A P35218 6/20 0.47
▸ JAK3 P52333 2/20 0.45
▸ IRAK4 Q9NWZ3 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44

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
SCHEMBL11777320 0.93 CISD1 (0.49) CISD1CA2CA12CA1CA9
SCHEMBL11846910 0.92 CISD1 (0.48) CISD1CA2CA12CA1CA9
SCHEMBL11853856 0.92 CISD1 (0.54) CISD1CA2CA12CA1CA9
SCHEMBL11783802 0.90 CISD1 (0.47) CISD1CA2CA12CA1CA9
SCHEMBL11855966 0.90 CISD1 (0.47) CISD1CA2CA12CA1CA9
SCHEMBL11842259 0.90 CISD1 (0.57) CISD1CA2CA12CA1CA9
SCHEMBL11850459 0.90 PPARA (0.46) CISD1CA2CA12CA1CA9
SCHEMBL11849176 0.89 MRGPRX4 (0.54) CISD1CA2CA12CA1CA9
SCHEMBL11841780 0.88 RXFP1 (0.52) CISD1CA2CA12CA1CA9
SCHEMBL11841803 0.87 L3MBTL1 (0.50) CISD1JAK3IRAK4JAK2JAK1

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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