SCHEMBL23536594

SCHEMBL23536594

CC(C)(C)OC(=O)n1cc(-c2ccc(Cl)cc2F)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ MARK3 P27448 1/20 0.46
▸ MAP4K2 Q12851 1/20 0.46
▸ CAMK2B Q13554 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46
▸ GRM2 Q14416 1/20 0.44
▸ ACHE P22303 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP3A5 P20815 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ APP P05067 1/20 0.38

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
SCHEMBL28558504 0.79 L3MBTL1 (0.57) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL20562433 0.78 L3MBTL1 (0.49) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL5871186 0.77 L3MBTL1 (0.51) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL29236564 0.76 L3MBTL1 (0.57) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL25244266 0.74 HTR6 (0.46) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL28247794 0.74 L3MBTL1 (0.55) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL30620463 0.74 L3MBTL1 (0.50) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL27257521 0.74 L3MBTL1 (0.53) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL20561898 0.74 L3MBTL1 (0.47) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL22969240 0.74 BRD4 (0.49) L3MBTL1BRD4CREBBPPIM1MARK3

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
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