SCHEMBL22299367

SCHEMBL22299367

CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.55
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
KCNQ4 P56696 1/20 0.52
KCNQ5 Q9NR82 1/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PPARA Q07869 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL31577007 1.00 HDAC1 (0.55) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22288442 0.86 KCNQ2 (0.68) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31577178 0.86 KCNQ2 (0.68) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22299372 0.84 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22299363 0.84 KCNQ3 (0.49) HDAC1KCNQ3KCNQ2HDAC3HDAC4
SCHEMBL31577142 0.84 KCNQ3 (0.51) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22298753 0.84 KCNQ3 (0.51) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22927152 0.83 KCNQ2 (0.75) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22299450 0.83 HDAC1 (0.52) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31577155 0.83 HDAC1 (0.50) HDAC1KCNQ3KCNQ2KCNQ4KCNQ5

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-2020157126-A1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF Università degli Studi di Salerno (IT) 2020-08-06 WO disclosed