SCHEMBL22637802

SCHEMBL22637802

COc1cc(-c2noc(C(C)NC(=O)O)n2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 8/20 0.64
▸ PPARD Q03181 5/20 0.52
▸ PPARA Q07869 5/20 0.52
▸ S1PR1 P21453 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ ACACB O00763 6/20 0.49
▸ KCNQ1 P51787 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ CACNA1C Q13936 1/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ KCNMB1 Q16558 1/20 0.48
▸ KCNT2 Q6UVM3 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
SCHEMBL22637806 0.90 KCNT1 (0.53) KCNT1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637807 0.90 KCNT1 (0.53) KCNT1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637859 0.89 ACACB (0.55) KCNT1PPARDPPARAS1PR1TP53
SCHEMBL22637857 0.89 ACACB (0.55) KCNT1PPARDPPARAS1PR1TP53
SCHEMBL22637696 0.86 KCNT1 (0.52) KCNT1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637700 0.86 KCNT1 (0.52) KCNT1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637947 0.86 KCNT1 (0.50) KCNT1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637943 0.86 KCNT1 (0.50) KCNT1PPARDPPARATP53SMN1; SMN2
SCHEMBL24660775 0.86 KCNT1 (0.61) KCNT1PPARDPPARAS1PR1TP53
SCHEMBL24660613 0.86 KCNT1 (0.61) KCNT1PPARDPPARAS1PR1TP53

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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