SCHEMBL22637893

SCHEMBL22637893

CC(NC(=O)O)c1nc(-c2cccc(F)c2)no1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 7/20 0.64
TDP1 Q9NUW8 1/20 0.55
ACACB O00763 5/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
IDH1 O75874 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 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
SCHEMBL22637891 1.00 KCNT1 (0.64) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637840 0.88 KCNT1 (0.64) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637724 0.88 KCNT1 (0.64) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637723 0.88 KCNT1 (0.64) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637923 0.86 TDP1 (0.56) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637761 0.85 TDP1 (0.55) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649547 0.84 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL29463519 0.84 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649224 0.84 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL29463500 0.84 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA

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