SCHEMBL28539191

SCHEMBL28539191

CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.52
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
HCAR3 P49019 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 1/20 0.43
PKM P14618 1/20 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
SCHEMBL28910137 1.00 USP30 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL28539193 1.00 USP30 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL29791919 0.94 ALDH1A1 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL10059190 0.94 ALDH1A1 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL14247649 0.92 USP30 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL15342506 0.92 USP30 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL15342513 0.92 USP30 (0.52) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL2252021 0.92 USP30 (0.45) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL16513098 0.88 LMNA (0.47) USP30MAPK1ALDH1A1MAPTLMNA
SCHEMBL2253805 0.87 MAPK1 (0.46) USP30MAPK1ALDH1A1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043458-A1 EP300/CBP INHIBITOR Hinova Pharmaceuticals Inc. (CN) 2022-08-17 EP disclosed
CN-112574189-A EP300/CBP inhibitor 海创药业股份有限公司 2021-03-30 CN disclosed