SCHEMBL23970660

SCHEMBL23970660

CC(C)OCCNc1cc(F)c(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.44
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SCN9A Q15858 1/20 0.41
PARP1 P09874 1/20 0.41
RIPK1 Q13546 1/20 0.39
PBK Q96KB5 1/20 0.39
ANO1 Q5XXA6 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL23970663 0.91 USP30 (0.45) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970657 0.90 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23971296 0.90 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23971294 0.89 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970928 0.89 USP30 (0.47) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970931 0.89 USP30 (0.44) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970923 0.88 USP30 (0.48) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL30159064 0.88 USP30 (0.40) USP30SCN9ARIPK1
SCHEMBL23970930 0.88 USP30 (0.45) USP30HDAC4HDAC6SCN9APARP1
SCHEMBL23970380 0.87 USP30 (0.49) 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