SCHEMBL22299249

SCHEMBL22299249

NCCCCCCCCCC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.49
HDAC3 O15379 9/20 0.49
KCNQ3 O43525 5/20 0.47
KCNQ2 O43526 5/20 0.47
KCNQ4 P56696 3/20 0.47
KCNQ5 Q9NR82 3/20 0.47
FFAR1 O14842 1/20 0.47
HDAC2 Q92769 6/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
NCOR2 Q9Y618 3/20 0.43
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
MPO P05164 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL22299261 1.00 HDAC1 (0.49) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL22298799 1.00 HDAC1 (0.49) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL31577003 1.00 HDAC1 (0.49) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL31577186 1.00 HDAC1 (0.49) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL31577122 1.00 HDAC1 (0.49) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL22298763 0.92 KCNQ3 (0.52) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL22298761 0.92 KCNQ3 (0.52) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL22299426 0.92 KCNQ3 (0.52) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL22288478 0.92 KCNQ3 (0.52) HDAC1HDAC3KCNQ3KCNQ2KCNQ4
SCHEMBL22288473 0.92 KCNQ3 (0.52) HDAC1HDAC3KCNQ3KCNQ2KCNQ4

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