SCHEMBL28820113

SCHEMBL28820113

CNC(=O)c1ccc[c]c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PLK1 P53350 2/20 0.44
ALDH1A1 P00352 1/20 0.39
PDK2 Q15119 1/20 0.37
MTNR1A P48039 1/20 0.36
POLB P06746 2/20 0.36
BRD4 O60885 2/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1100763 0.79 GAA (0.48) GAAPLK1MTNR1APOLBBRD4
SCHEMBL8961335 0.79 GAA (0.33) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL4281712 0.79 KMT2A (0.38) GAAALDH1A1PDK2POLBMEN1
SCHEMBL4049574 0.78 TSHR (0.50) GAAALDH1A1POLBKMT2ATDP1
SCHEMBL20448911 0.78 GAA (0.47) GAAPLK1ALDH1A1MTNR1APOLB
SCHEMBL16951611 0.78 TSHR (0.48) ALDH1A1POLBSLC6A4SLC6A3KMT2A
SCHEMBL1905760 0.77 ALDH1A1 (0.56) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL4287348 0.77 GAA (0.47) GAAPLK1ALDH1A1PDK2POLB
SCHEMBL3093108 0.76 ALDH1A1 (0.48) GAAALDH1A1POLBHDAC8TDP1
SCHEMBL3980872 0.75 KDM4E (0.43) GAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN claimed
CN-117580825-A Method for preparing non-steroidal antiandrogens 奎米卡新特缇卡股份有限公司 2024-02-20 CN disclosed
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN disclosed