SCHEMBL23970663

SCHEMBL23970663

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cc([N+](=O)[O-])c(NCCOC3CC3)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.45
SCN9A Q15858 2/20 0.42
PARP1 P09874 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ANO1 Q5XXA6 2/20 0.39
RIPK1 Q13546 1/20 0.39
PBK Q96KB5 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DHODH Q02127 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL23970657 0.93 USP30 (0.44) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23971296 0.92 USP30 (0.44) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23971294 0.91 USP30 (0.44) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23970660 0.91 USP30 (0.44) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23970928 0.90 USP30 (0.47) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23970930 0.89 USP30 (0.45) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23970380 0.89 USP30 (0.49) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL30159021 0.88 USP30 (0.41) USP30SCN9APARP1RIPK1
SCHEMBL23970924 0.87 USP30 (0.49) USP30SCN9APARP1HDAC4HDAC6
SCHEMBL23970662 0.87 USP30 (0.49) USP30SCN9APARP1HDAC4HDAC6

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