SCHEMBL28939606

SCHEMBL28939606

CC(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CSNK2A3 Q8NEV1 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ HDAC3 O15379 7/20 0.40
▸ HDAC1 Q13547 6/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ HDAC10 Q969S8 6/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.39
▸ MAPT P10636 2/20 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
SCHEMBL30058878 0.87 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL23704858 0.87 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL23705295 0.83 GPR139 (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL23714804 0.82 GPR139 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL22971737 0.79 CSNK2A2 (0.53) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL23714825 0.78 MAPT (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL22971732 0.78 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL22290274 0.77 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL21224430 0.77 HDAC3 (0.55) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2
SCHEMBL25179667 0.76 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK2

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-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 — — CN disclosed
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