SCHEMBL31460754

SCHEMBL31460754

CC(C)(C)OC(=O)N1CCC(Nc2ncc3cc(Br)ccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM1A O60341 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
USP30 Q70CQ3 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
NSD2 O96028 1/20 0.47
CNR1 P21554 1/20 0.46
BACE1 P56817 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.44
CCNK O75909 4/20 0.44
CCNA2 P20248 4/20 0.44
CDK2 P24941 4/20 0.44

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
SCHEMBL20214388 1.00 ALDH1A1 (0.48) ALDH1A1KDM1AEHMT2RCOR1USP30
SCHEMBL889079 0.94 USP30 (0.53) USP30PIK3CDPIK3CACCNKCCNA2
SCHEMBL31460656 0.89 CCNK (0.49) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL28717093 0.89 CCNK (0.49) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL29494812 0.89 CCNK (0.49) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL29527460 0.89 CCNK (0.49) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL22787807 0.89 CCNK (0.49) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL23003081 0.86 USP30 (0.55) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL23003082 0.86 USP30 (0.55) USP30PIK3CDCCNKCCNA2CDK2
SCHEMBL31460649 0.85 ALDH1A1 (0.45) ALDH1A1KDM1AEHMT2RCOR1USP30

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-2025076441-A1 COMPOUNDS OF GCN2 MODULATORS Alesta Therapeutics BV (NL) 2025-04-10 WO disclosed