SCHEMBL23970666

SCHEMBL23970666

CNc1cc(F)c(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.52
PARP1 P09874 2/20 0.50
RIPK1 Q13546 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SCN9A Q15858 1/20 0.47
PBK Q96KB5 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
ANO1 Q5XXA6 2/20 0.42

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
SCHEMBL23970673 0.92 USP30 (0.52) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL23970939 0.91 USP30 (0.56) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL23971068 0.87 USP30 (0.47) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL23970777 0.83 USP30 (0.50) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL23970924 0.79 USP30 (0.49) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL23970662 0.79 USP30 (0.49) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL23970923 0.79 USP30 (0.48) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL18124183 0.78 USP30 (0.67) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL28513485 0.78 USP30 (0.67) USP30PARP1RIPK1HDAC4HDAC6
SCHEMBL29778997 0.78 USP30 (0.67) USP30PARP1RIPK1HDAC4HDAC6

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