SCHEMBL31576873

SCHEMBL31576873

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.50
KCNQ3 O43525 6/20 0.50
KCNQ4 P56696 2/20 0.50
KCNQ5 Q9NR82 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTR2C P28335 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPM1D O15297 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 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
SCHEMBL22299149 1.00 KCNQ2 (0.50) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL22299157 0.88 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL31576851 0.88 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL22299156 0.85 NPC1 (0.51) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL31576979 0.85 NPC1 (0.51) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL22299226 0.83 KCNQ2 (0.53) KCNQ2KCNQ3KCNQ4KCNQ5HDAC3
SCHEMBL31577089 0.83 KCNQ2 (0.53) KCNQ2KCNQ3KCNQ4KCNQ5HDAC3
SCHEMBL22298751 0.82 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL31577151 0.82 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5NPC1
SCHEMBL22299151 0.82 KDM4E (0.59) NPC1RAB9AALDH1A1KDM4EPOLB

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