SCHEMBL28280992

SCHEMBL28280992

FC(F)(F)Cn1ccc(CN2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 6/20 0.39
HRH3 Q9Y5N1 3/20 0.36
GAA P10253 1/20 0.36
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
HRH4 Q9H3N8 1/20 0.33
MAPT P10636 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CXCR4 P61073 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
SCHEMBL25938500 0.86 CXCR4 (0.41) ALDH1A1HRH3SCN1ASCN8ASIGMAR1
SCHEMBL28281002 0.77 METTL3 (0.32)
SCHEMBL31010286 0.77 HRH3 (0.42) ALDH1A1KDM4EHRH3HRH4MAPT
SCHEMBL21034313 0.75 NOTUM (0.33)
SCHEMBL18611221 0.74 METTL3 (0.30)
SCHEMBL17911156 0.74 METTL3 (0.30)
SCHEMBL7996504 0.74 HDAC1 (0.32)
SCHEMBL24777116 0.70 METTL3 (0.34) KDM4E
SCHEMBL807360 0.69 DDB1 (0.53) ALDH1A1KDM4EHRH3HRH4MAPT
SCHEMBL18169175 0.69 HDAC1 (0.34) ALDH1A1KDM4EPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109526219-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-03-26 CN claimed
CN-109526219-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-03-26 CN disclosed