SCHEMBL22637834

SCHEMBL22637834

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNT1 Q5JUK3 5/20 0.52
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
KMT2A Q03164 1/20 0.50
ACACB O00763 5/20 0.49

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
SCHEMBL22637673 0.87 TDP1 (0.54) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637723 0.85 KCNT1 (0.64) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637724 0.85 KCNT1 (0.64) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637840 0.85 KCNT1 (0.64) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL24660606 0.85 TDP1 (0.50) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL29463534 0.85 TDP1 (0.50) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637923 0.84 TDP1 (0.56) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637761 0.83 TDP1 (0.55) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637893 0.83 KCNT1 (0.64) TDP1TP53SMN1; SMN2KCNT1PPARD
SCHEMBL22637891 0.83 KCNT1 (0.64) TDP1TP53SMN1; SMN2KCNT1PPARD

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