SCHEMBL28294631

SCHEMBL28294631

CC(C)(C)C(=O)ON1CCC(c2ccc(N)c(N)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC3 O15379 2/20 0.40
QDPR P09417 4/20 0.39
NAMPT P43490 2/20 0.37
PDE4B Q07343 5/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RIPK1 Q13546 1/20 0.34
TRIM24 O15164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL27945504 0.88 HDAC1 (0.38) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27724744 0.88 HDAC1 (0.38) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27979565 0.88 HDAC1 (0.38) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27949194 0.87 HDAC1 (0.38) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27933803 0.87 QDPR (0.48) QDPRPDE4B
SCHEMBL27933802 0.86 HDAC1 (0.37) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27770249 0.86 QDPR (0.38) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27318172 0.85 SLC18A3 (0.44) HDAC1HDAC2HDAC3QDPRNAMPT
SCHEMBL27949198 0.84 CREBBP (0.41) HDAC1HDAC2HDAC3QDPRPDE4B
SCHEMBL27682015 0.83 RIPK1 (0.39) QDPRNAMPTRIPK1

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
CN-109721620-A HPK1 inhibitors and uses thereof 南京药捷安康生物科技有限公司 2019-05-07 CN disclosed