SCHEMBL23970924

SCHEMBL23970924

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cc([N+](=O)[O-])c(NC3CCC3)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.49
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SCN9A Q15858 1/20 0.44
PARP1 P09874 1/20 0.43
RIPK1 Q13546 1/20 0.41
PBK Q96KB5 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ANO1 Q5XXA6 2/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
HCAR3 P49019 1/20 0.39

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
SCHEMBL23970662 0.98 USP30 (0.49) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970923 0.91 USP30 (0.48) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970928 0.90 USP30 (0.47) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL30316067 0.88 USP30 (0.43) USP30SCN9ARIPK1HCAR3
SCHEMBL23970777 0.88 USP30 (0.50) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970663 0.87 USP30 (0.45) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970930 0.87 USP30 (0.45) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970931 0.86 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970657 0.86 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23971053 0.86 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1

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
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed