SCHEMBL30102492

SCHEMBL30102492

C[C@H](NC(=O)c1ccnc(C(F)(F)F)c1)c1nc(-c2ccnc(C(F)(F)F)c2)no1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 18/20 0.73
KCNQ1 P51787 1/20 0.73
KCNH2 Q12809 1/20 0.73
CACNA1C Q13936 1/20 0.73
SCN5A Q14524 1/20 0.73
KCNMB1 Q16558 1/20 0.73
KCNT2 Q6UVM3 1/20 0.73
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL25266756 1.00 KCNT1 (0.73) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL25214282 1.00 KCNT1 (0.73) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL25601397 0.94 KCNT1 (0.72) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL25244088 0.94 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL25244089 0.94 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL25245935 0.91 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL25245937 0.91 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637565 0.90 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637564 0.90 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637896 0.90 KCNT1 (0.71) KCNT1KCNQ1KCNH2CACNA1CSCN5A

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-4110317-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2023-01-04 EP disclosed
CN-115443129-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2022-12-06 CN disclosed