SCHEMBL9543676

SCHEMBL9543676

COC(=O)c1c(F)cc(C(=O)NOC(C)(C)C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ENPP2 Q13822 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL9541876 0.86 RARA (0.40) HDAC1HDAC6LMNAALDH1A1MAPK1
SCHEMBL31455774 0.79 KDM4E (0.43) MAPTPOLBL3MBTL1KDM4EGAA
SCHEMBL9542523 0.78 SLC6A3 (0.45) HDAC1HDAC6KDM4EALDH1A1NPC1
SCHEMBL29781353 0.78 CHRNA1 (0.49) HDAC1HDAC6GAAALDH1A1KMT2A
SCHEMBL522695 0.77 KDM4E (0.57) MAPTPOLBL3MBTL1KDM4EGAA
SCHEMBL9541142 0.74 SCN9A (0.35) HDAC1HDAC6LMNAALDH1A1KMT2A
SCHEMBL12426969 0.74 LMNA (0.50) MAPTPOLBL3MBTL1KDM4EGAA
SCHEMBL6693165 0.74 HDAC3 (0.48) MAPTHDAC6L3MBTL1KDM4ELMNA
SCHEMBL18006689 0.73 CFTR (0.41) MAPTPOLBL3MBTL1KDM4EGAA
SCHEMBL27438708 0.73 F10 (0.41) MAPTPOLBL3MBTL1KDM4EGAA

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
WO-1993014063-A1 FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-22 WO disclosed