SCHEMBL30165832

SCHEMBL30165832

CC(C)(C)OC(=O)N1CCNCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
PDE5A O76074 1/20 0.41
PARP1 P09874 1/20 0.40
ADRB1 P08588 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
PKM P14618 1/20 0.39
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37

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
SCHEMBL30910354 0.85 ALDH1A1 (0.39) ALDH1A1MAPTLMNAPARP1NR1H2
SCHEMBL25913721 0.84 DPP4 (0.47) PARP1NR1H2NR1H3
SCHEMBL3697218 0.84 DPP4 (0.47) PARP1NR1H2NR1H3
SCHEMBL8147630 0.84 MAPT (0.43) ALDH1A1MAPTLMNAPARP1KDM4E
SCHEMBL29351957 0.84 PARP1 (0.39) ALDH1A1MAPTLMNAPARP1
SCHEMBL31437077 0.84 ALDH1A1 (0.43) ALDH1A1MAPTLMNA
SCHEMBL31437059 0.84 PARP1 (0.38) ALDH1A1MAPTLMNAPARP1KDM4E
SCHEMBL25279026 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPDE5APKM
SCHEMBL8140446 0.83 PARP1 (0.43) ALDH1A1MAPTPARP1NR1H2NR1H3
SCHEMBL1673503 0.83 MEN1 (0.43) ALDH1A1MAPTLMNAPARP1NR1H2

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-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 CN disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed