SCHEMBL31577151

SCHEMBL31577151

Nc1c(NC(=O)CCC2CCCCC2)ccc(NCc2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.65
KCNQ3 O43525 7/20 0.65
KCNQ4 P56696 3/20 0.64
KCNQ5 Q9NR82 3/20 0.64
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LDLR P01130 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 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
SCHEMBL22298751 1.00 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL24246353 0.99 KCNQ2 (0.66) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL31576851 0.94 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL22299157 0.94 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL24246350 0.91 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL24246356 0.90 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5PARP1
SCHEMBL24246358 0.88 KCNQ2 (0.53) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL24246355 0.83 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5MEN1
SCHEMBL24246359 0.83 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL22288564 0.83 AAK1 (0.47) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP claimed
EP-3917907-B1 MODULATORS OF POTASSIUM ION CHANNELS AND USES THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2025-05-21 EP disclosed