SCHEMBL23057174

SCHEMBL23057174

[O-][S+](Nc1ccccc1N1CCCCC1)c1ccc([S+]([O-])C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ PKM P14618 3/20 0.41
▸ MCOLN3 Q8TDD5 2/20 0.41
▸ NPSR1 Q6W5P4 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ KCNQ2 O43526 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL23057155 0.87 L3MBTL1 (0.40) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057209 0.85 L3MBTL1 (0.45) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057158 0.83 PIM1 (0.39) HTTMAPT
SCHEMBL23057051 0.83 L3MBTL1 (0.43) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057136 0.83 KEAP1 (0.41) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057265 0.83 MEN1 (0.53) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057084 0.83 L3MBTL1 (0.43) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057120 0.83 MEN1 (0.53) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057203 0.83 MAPK1 (0.45) L3MBTL1PKMMCOLN3NPSR1GAA
SCHEMBL23057216 0.80 L3MBTL1 (0.40) L3MBTL1PKMMCOLN3NPSR1GAA

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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