SCHEMBL29095239

SCHEMBL29095239

CC(C(=O)NC(=O)C(C)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.55
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.46
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MME P08473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL13448758 0.86 GRM7 (0.54) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL17086763 0.86 GRM7 (0.54) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL13448757 0.86 GRM7 (0.54) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5739780 0.84 ALDH1A1 (0.57) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL23003791 0.80 GRM7 (0.47) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL20029953 0.78 GRM7 (0.46) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL4767889 0.78 PTGS2 (0.61) GRM7KMT2AMEN1CYP1A2CYP2C9
SCHEMBL20130289 0.78 GRM7 (0.46) GRM7HDAC3HDAC4HDAC1HDAC7
SCHEMBL185702 0.78 PTGS2 (0.61) GRM7KMT2AMEN1CYP1A2CYP2C9
SCHEMBL1711069 0.78 PTGS2 (0.61) GRM7KMT2AMEN1CYP1A2CYP2C9

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-116744926-A Compounds as inhibitors of casein kinase 北京原基华毅生物科技有限公司 2023-09-12 CN disclosed