SCHEMBL20899645

SCHEMBL20899645

NS(=O)(=O)c1ccc(NCc2cccs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ CA2 P00918 9/20 0.62
▸ CA1 P00915 8/20 0.62
▸ CA12 O43570 5/20 0.62
▸ CA9 Q16790 5/20 0.62
▸ CA5A P35218 3/20 0.62
▸ CA7 P43166 3/20 0.62
▸ CA5B Q9Y2D0 3/20 0.62
▸ CA13 Q8N1Q1 1/20 0.62
▸ L3MBTL1 Q9Y468 4/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ POLB P06746 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ APBA1 Q02410 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ PTGS2 P35354 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54

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
SCHEMBL30098967 0.84 L3MBTL1 (0.60) L3MBTL1PTGS2
SCHEMBL456924 0.78 L3MBTL1 (0.69) MEN1KMT2AALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6298735 0.77 L3MBTL1 (0.67) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL4060324 0.77 CA2 (0.62) MEN1KMT2AALDH1A1CA2
SCHEMBL2716691 0.76 L3MBTL1 (0.70) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL28225354 0.76 L3MBTL1 (0.61) MEN1KMT2AALDH1A1CA2CA1
SCHEMBL7955725 0.76 L3MBTL1 (0.65) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL8322277 0.75 L3MBTL1 (0.69) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL8782898 0.75 L3MBTL1 (0.69) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL1958230 0.74 MAPT (0.56) MEN1KMT2ACA2CA1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 — — WO disclosed
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 — — CN disclosed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 — — CN disclosed
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