SCHEMBL23107411

SCHEMBL23107411

CC(c1ccc(NC(=O)OC(C)(C)C)nc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.48
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ GRIN2B Q13224 1/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ CYP17A1 P05093 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL23103811 0.86 GRIN2B (0.41) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL28876581 0.86 GRIN2B (0.41) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL29736471 0.86 GRIN2B (0.41) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL22606745 0.81 DEGS1 (0.48) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL30506468 0.81 DEGS1 (0.48) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL31726922 0.80 MAPK1 (0.43) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL16296314 0.79 GSK3B (0.41) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL28071467 0.79 GSK3B (0.41) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL24738966 0.79 GSK3B (0.43) NAMPTGSK3BDYRK1AGRIN2BBCL2
SCHEMBL27946209 0.78 MAPK1 (0.42) NAMPTGSK3BDYRK1AGRIN2BBCL2

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-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 — — WO disclosed
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