SCHEMBL22637840

SCHEMBL22637840

Cc1cccc(-c2noc([C@@H](C)NC(=O)O)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 6/20 0.64
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACACB O00763 5/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
HTT P42858 2/20 0.50
IDH1 O75874 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 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
SCHEMBL22637724 1.00 KCNT1 (0.64) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637723 1.00 KCNT1 (0.64) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637923 0.89 TDP1 (0.56) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637893 0.88 KCNT1 (0.64) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637761 0.88 TDP1 (0.55) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637891 0.88 KCNT1 (0.64) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637834 0.85 TDP1 (0.58) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637849 0.85 S1PR3 (0.60) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL22637851 0.85 S1PR3 (0.60) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL3115663 0.85 KCNT1 (0.60) KCNT1TDP1TP53SMN1; SMN2MAPK1

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