SCHEMBL23535263

SCHEMBL23535263

CC(C)(C)CC(C)(C#N)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ NAMPT P43490 2/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DEGS1 O15121 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPKAPK2 P49137 3/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 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
SCHEMBL29153085 0.85 HDAC1 (0.38) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL31292326 0.85 HDAC1 (0.41) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL30058570 0.81 NAMPT (0.39) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL23534267 0.81 NAMPT (0.39) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL282866 0.80 DEGS1 (0.51) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL30099126 0.80 ATR (0.39) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL23582651 0.78 GSK3B (0.43) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL24738932 0.78 GAA (0.45) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL30828305 0.78 RAB9A (0.55) HDAC1GSK3BDYRK1ADEGS1POLB
SCHEMBL31194452 0.78 BRAF (0.36) DEGS1POLBGAANPC1RAB9A

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-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
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