SCHEMBL29129342

SCHEMBL29129342

CC(C)(C)OC(=O)N1CCCC1c1csc(Br)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.48
UCHL1 P09936 4/20 0.48
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL356138 0.86 SCN4A (0.45) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL8215613 0.86 SCN4A (0.45) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL8240664 0.86 SCN4A (0.45) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL8218887 0.84 ADAM17 (0.46) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL8222820 0.82 USP30 (0.51) USP30UCHL1ALDH1A1TSHRL3MBTL1
SCHEMBL8221844 0.82 USP30 (0.52) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL6468249 0.81 HSD11B1 (0.45) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL8222445 0.80 USP30 (0.56) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL30912450 0.79 UCHL1 (0.49) USP30UCHL1ALDH1A1KMT2ATSHR
SCHEMBL30912508 0.79 UCHL1 (0.49) USP30UCHL1ALDH1A1KMT2ATSHR

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
CN-117279896-A Amino substituted pyrido ring compounds, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-12-22 CN disclosed
WO-2022214044-A1 AMINE-SUBSTITUTED PYRIDINE FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-10-13 WO disclosed