SCHEMBL11840804

SCHEMBL11840804

Cc1ccc(Nc2c(NCc3ccccc3)cc(C(=O)O)cc2S(N)(=O)=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.47
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CA2 P00918 7/20 0.42
▸ CA12 O43570 6/20 0.42
▸ CA1 P00915 6/20 0.42
▸ CA3 P07451 6/20 0.42
▸ CA6 P23280 6/20 0.42
▸ CA7 P43166 6/20 0.42
▸ CA13 Q8N1Q1 6/20 0.42
▸ CA14 Q9ULX7 6/20 0.42
▸ CA5A P35218 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ CA5B Q9Y2D0 5/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11852452 0.89 ALOX15 (0.46) CISD1HDAC1HDAC8HDAC6CA2
SCHEMBL11846910 0.88 CISD1 (0.48) CISD1HDAC1HDAC8HDAC6CA2
SCHEMBL11855966 0.86 CISD1 (0.47) CISD1HDAC1HDAC8HDAC6CA2
SCHEMBL11841241 0.84 CISD1 (0.53) CISD1CA2CA12CA1CA3
SCHEMBL11842259 0.83 CISD1 (0.57) CISD1HDAC1HDAC8HDAC6CA2
SCHEMBL11854950 0.80 L3MBTL1 (0.48) L3MBTL1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL11777320 0.80 CISD1 (0.49) CISD1CA2CA12CA1CA3
SCHEMBL11841483 0.80 CISD1 (0.45) CISD1HDAC1HDAC8HDAC6CA2
SCHEMBL11846241 0.80 CISD1 (0.54) CISD1HDAC1HDAC8HDAC6CA2
SCHEMBL11783802 0.80 CISD1 (0.47) CISD1CA2CA12CA1CA3

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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