SCHEMBL28566889

SCHEMBL28566889

CC(C)(C)OC(=O)N1CCC(NCc2ccc(Br)cc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.55
FPR3 P25089 3/20 0.48
FPR2 P25090 3/20 0.48
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 2/20 0.42
PARP1 P09874 1/20 0.42
KRAS P01116 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL28566888 1.00 USP30 (0.55) USP30FPR3FPR2SCN9AALDH1A1
SCHEMBL20045986 0.92 USP30 (0.48) USP30FPR3FPR2SCN9AKRAS
SCHEMBL17803256 0.85 USP30 (0.48) USP30FPR3FPR2ALDH1A1KRAS
SCHEMBL18928181 0.85 USP30 (0.53) USP30SCN9AALDH1A1PARP1NPC1
SCHEMBL28563886 0.85 USP30 (0.53) USP30SCN9AALDH1A1PARP1NPC1
SCHEMBL28572066 0.84 USP30 (0.50) USP30FPR3FPR2SCN9AALDH1A1
SCHEMBL28572069 0.84 USP30 (0.50) USP30FPR3FPR2SCN9AALDH1A1
SCHEMBL21874641 0.84 GRM2 (0.40) USP30HTT
SCHEMBL21874640 0.84 GRM2 (0.40) USP30HTT
SCHEMBL14247337 0.80 USP30 (0.56) USP30FPR3FPR2ALDH1A1KRAS

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
CN-108290861-B 1-cyano-pyrrolidine derivatives as USP30 inhibitors 特殊治疗有限公司 2021-05-25 CN disclosed