SCHEMBL29463519

SCHEMBL29463519

C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(F)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 7/20 0.60
TDP1 Q9NUW8 1/20 0.47
ACACB O00763 5/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
IDH1 O75874 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 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
SCHEMBL22637858 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649224 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL29463500 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649547 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637514 0.90 KCNT1 (0.54) KCNT1TDP1IDH1LMNATSHR
SCHEMBL24660553 0.89 KCNT1 (0.47) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL14153113 0.89 KCNT1 (0.49) KCNT1ACACBPPARDPPARAIDH1
SCHEMBL24660736 0.88 KCNT1 (0.48) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649167 0.88 KCNT1 (0.57) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649477 0.88 PPARD (0.49) 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 1 patent. 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