SCHEMBL22637807

SCHEMBL22637807

CC(C)Oc1cc(-c2noc(C(C)NC(=O)O)n2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 7/20 0.53
▸ ACACB O00763 7/20 0.53
▸ TDP1 Q9NUW8 1/20 0.49
▸ PPARD Q03181 6/20 0.48
▸ PPARA Q07869 6/20 0.48
▸ 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
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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 1.00 KCNT1 (0.53) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL25241853 0.90 TDP1 (0.54) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL25241854 0.90 TDP1 (0.54) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL22637802 0.90 KCNT1 (0.64) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL22637859 0.88 ACACB (0.55) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL22637857 0.88 ACACB (0.55) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL25601543 0.86 KCNT1 (0.51) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL25601271 0.86 KCNT1 (0.51) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL22637947 0.85 KCNT1 (0.50) KCNT1ACACBTDP1PPARDPPARA
SCHEMBL22637943 0.85 KCNT1 (0.50) KCNT1ACACBTDP1PPARDPPARA

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 3 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
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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