SCHEMBL23057084

SCHEMBL23057084

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ KCNQ2 O43526 2/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 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
SCHEMBL23057051 0.89 L3MBTL1 (0.43) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057120 0.89 MEN1 (0.53) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057209 0.88 L3MBTL1 (0.45) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057136 0.86 KEAP1 (0.41) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057265 0.86 MEN1 (0.53) L3MBTL1MAPTNPSR1MEN1KMT2A
SCHEMBL23057203 0.86 MAPK1 (0.45) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057216 0.85 L3MBTL1 (0.40) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057240 0.85 L3MBTL1 (0.40) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057155 0.85 L3MBTL1 (0.40) L3MBTL1MAPTNPSR1ATMMEN1
SCHEMBL23057207 0.85 GAA (0.40) L3MBTL1MAPTNPSR1ATMMEN1

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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