SCHEMBL23057207

SCHEMBL23057207

CCN(CC)[S+]([O-])c1ccc([S+]([O-])Nc2ccccc2N2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KCNQ2 O43526 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ KCNQ4 P56696 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL23057332 0.87 ALDH1A1 (0.39) GAAMAPTNPSR1ALDH1A1LMNA
SCHEMBL23057084 0.85 L3MBTL1 (0.43) GAAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL23057120 0.82 MEN1 (0.53) GAAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL23057051 0.82 L3MBTL1 (0.43) GAAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL23057209 0.82 L3MBTL1 (0.45) GAAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL23057240 0.81 L3MBTL1 (0.40) GAAMAPTL3MBTL1NPSR1ADRA1A
SCHEMBL23057337 0.81 HRH3 (0.39) GAAMAPTL3MBTL1NPSR1ADRA1A
SCHEMBL23057265 0.80 MEN1 (0.53) GAAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL23057203 0.80 MAPK1 (0.45) GAAMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL23057136 0.80 KEAP1 (0.41) GAAMAPTL3MBTL1NPSR1ALDH1A1

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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