SCHEMBL31576851

SCHEMBL31576851

Nc1c(NC(=O)CCCC2CCCCC2)ccc(NCc2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.63
KCNQ3 O43525 6/20 0.63
KCNQ4 P56696 3/20 0.62
KCNQ5 Q9NR82 3/20 0.62
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
RORC P51449 1/20 0.43
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LDLR P01130 2/20 0.38

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
SCHEMBL22299157 1.00 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL22298751 0.94 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL31577151 0.94 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL24246353 0.93 KCNQ2 (0.66) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL24246350 0.89 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL22299149 0.88 KCNQ2 (0.50) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL31576873 0.88 KCNQ2 (0.50) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL24246356 0.85 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5HDAC3
SCHEMBL31577159 0.84 RORC (0.49) KCNQ2KCNQ3KCNQ4KCNQ5RAB9A
SCHEMBL22299251 0.83 KCNQ2 (0.69) KCNQ2KCNQ3KCNQ4KCNQ5HDAC3

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