SCHEMBL22637700

SCHEMBL22637700

CC(NC(=O)O)c1nc(-c2ccnc(OCC(F)F)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 10/20 0.52
▸ KCNQ1 P51787 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ KCNMB1 Q16558 1/20 0.47
▸ KCNT2 Q6UVM3 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ ACACB O00763 6/20 0.45
▸ PPARD Q03181 4/20 0.45
▸ PPARA Q07869 4/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22637696 1.00 KCNT1 (0.52) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637859 0.88 ACACB (0.55) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637857 0.88 ACACB (0.55) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL29463427 0.87 KCNT1 (0.51) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637802 0.86 KCNT1 (0.64) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637807 0.85 KCNT1 (0.53) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637806 0.85 KCNT1 (0.53) KCNT1KCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637229 0.84 KCNT1 (0.49) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637231 0.84 KCNT1 (0.49) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL29463522 0.81 KCNT1 (0.81) 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-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO disclosed
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