SCHEMBL29868091

SCHEMBL29868091

O=C(O)COCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HCAR3 P49019 3/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.53
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.48
LMNA P02545 1/20 0.48
DGAT1 O75907 4/20 0.47
PKM P14618 1/20 0.47
PTGER4 P35408 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FOLH1 Q04609 2/20 0.46

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
SCHEMBL23705082 0.97 KMT2A (0.54) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL30824717 0.97 KMT2A (0.54) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL30064257 0.97 KMT2A (0.54) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL30670380 0.89 MAPT (0.58) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL13248200 0.89 MAPT (0.58) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL4427988 0.88 MAPT (0.57) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL31481345 0.88 MAPT (0.57) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL581227 0.86 HCAR3 (0.73) MAPTALDH1A1HCAR3PKMPTGER4
SCHEMBL23705089 0.85 MAPT (0.57) MAPTKDM4EALDH1A1HCAR3KMT2A
SCHEMBL20402644 0.85 MAPT (0.57) MAPTKDM4EALDH1A1HCAR3KMT2A

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-117897177-A Molecular degradation agent for extracellular proteins 耶鲁大学 2024-04-16 CN disclosed
CN-115066438-A ASGPR binding compounds for degrading extracellular proteins 阿维拉治疗公司 2022-09-16 CN disclosed