SCHEMBL23057136

SCHEMBL23057136

N[S+]([O-])c1ccc([S+]([O-])Nc2ccccc2N2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ PKM P14618 3/20 0.41
▸ MCOLN3 Q8TDD5 2/20 0.41
▸ NPSR1 Q6W5P4 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ PIM1 P11309 3/20 0.39
▸ PIM3 Q86V86 3/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL23057209 0.88 L3MBTL1 (0.45) KEAP1L3MBTL1PKMMCOLN3NPSR1
SCHEMBL23057051 0.86 L3MBTL1 (0.43) L3MBTL1PKMMCOLN3NPSR1MAPT
SCHEMBL23057120 0.86 MEN1 (0.53) L3MBTL1PKMMCOLN3NPSR1MAPT
SCHEMBL23057084 0.86 L3MBTL1 (0.43) L3MBTL1PKMMCOLN3NPSR1MAPT
SCHEMBL23057265 0.86 MEN1 (0.53) L3MBTL1PKMMCOLN3NPSR1MAPT
SCHEMBL23057203 0.86 MAPK1 (0.45) KEAP1L3MBTL1PKMMCOLN3NPSR1
SCHEMBL23057240 0.83 L3MBTL1 (0.40) L3MBTL1PKMMCOLN3NPSR1MAPT
SCHEMBL23057174 0.83 L3MBTL1 (0.41) KEAP1L3MBTL1PKMMCOLN3NPSR1
SCHEMBL23057216 0.83 L3MBTL1 (0.40) L3MBTL1PKMMCOLN3NPSR1MAPT
SCHEMBL23057155 0.83 L3MBTL1 (0.40) KEAP1L3MBTL1PKMMCOLN3NPSR1

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
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 — — WO disclosed
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