SCHEMBL22299251

SCHEMBL22299251

NCCCCCCCCCC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1N

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.69
KCNQ3 O43525 6/20 0.69
KCNQ4 P56696 3/20 0.59
KCNQ5 Q9NR82 3/20 0.59
HDAC1 Q13547 11/20 0.47
HDAC3 O15379 7/20 0.47
HDAC2 Q92769 6/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC11 Q96DB2 3/20 0.46
FFAR1 O14842 1/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL31576961 1.00 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL22299250 1.00 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL31577070 1.00 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL22298796 1.00 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL31576845 1.00 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL22299106 0.91 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL31577043 0.91 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL22299229 0.91 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL22299227 0.91 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1
SCHEMBL31576910 0.91 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5HDAC1

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