SCHEMBL11850459

SCHEMBL11850459

COc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA12 O43570 5/20 0.46
▸ CA1 P00915 5/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SLC12A2 P55011 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA7 P43166 3/20 0.43
▸ CA3 P07451 2/20 0.43
▸ CA6 P23280 2/20 0.43

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
SCHEMBL11843685 0.90 MAPT (0.44) CISD1CA2CA12CA1CA9
SCHEMBL11841241 0.90 CISD1 (0.53) CISD1CA2CA12CA1CA9
SCHEMBL11846910 0.89 CISD1 (0.48) CISD1CA2CA12CA1CA9
SCHEMBL11777320 0.88 CISD1 (0.49) CISD1CA2CA12CA1CA9
SCHEMBL11783802 0.87 CISD1 (0.47) CISD1CA2CA12CA1CA9
SCHEMBL11853856 0.87 CISD1 (0.54) PPARACISD1CA2CA12CA1
SCHEMBL11849176 0.86 MRGPRX4 (0.54) CISD1CA2CA12CA1CA9
SCHEMBL11849479 0.84 CA2 (0.65) PPARACISD1CA2CA12CA1
SCHEMBL11855966 0.83 CISD1 (0.47) CISD1CA2CA12CA1CA9
SCHEMBL11842259 0.83 CISD1 (0.57) CISD1CA2CA12CA1CA9

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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