SCHEMBL28334199

SCHEMBL28334199

FC(F)(F)Oc1ccc(-c2ccccc2)cc1.N=S(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
AURKA O14965 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
KIF11 P52732 2/20 0.46
IGF2BP2 Q9Y6M1 1/20 0.45
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CHRM5 P08912 2/20 0.43
PLK1 P53350 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL306823 0.88 KIF11 (0.50) SERPINE1AURKATPX2KIF11IGF2BP2
SCHEMBL18293362 0.88 KIF11 (0.50) SERPINE1AURKATPX2KIF11IGF2BP2
SCHEMBL28910204 0.86 SERPINE1 (0.49) SERPINE1AURKATPX2KIF11IGF2BP2
SCHEMBL9602945 0.82 SERPINE1 (0.47) SERPINE1AURKATPX2KIF11IGF2BP2
SCHEMBL29628993 0.76 SCN5A (0.54) AURKATPX2KIF11IGF2BP2AKR1C2
SCHEMBL26803468 0.76 ACP1 (0.48) SERPINE1AURKATPX2KIF11IGF2BP2
SCHEMBL168125 0.75 KIF11 (0.47) KIF11MAPTEPHX2
SCHEMBL27862141 0.75 KIF11 (0.47) KIF11MAPTEPHX2
SCHEMBL29699519 0.75 SCN5A (0.46) SERPINE1AURKATPX2KIF11AKR1C2
Biphenyl SCHEMBL15610556 0.74 ALDH1A1 (0.60) MAPTEPHX2NOTUMEPHX1

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-110526843-A Inhibit calcium/calmodulin dependent protein kinase II compound and its application ACADEMIA SINICA 2019-12-03 CN disclosed