SCHEMBL29262050

SCHEMBL29262050

COC(=O)c1cccc(NCCCOCCOCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ KAT2B Q92831 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30121849 1.00 KDM4E (0.42) KDM4EGLAALDH1A1GAAKAT2B
SCHEMBL24746810 0.94 KDM4E (0.42) KDM4EGLAALDH1A1GAAKAT2B
SCHEMBL30121924 0.94 KDM4E (0.42) KDM4EGLAALDH1A1GAAKAT2B
SCHEMBL28855763 0.84 KAT2B (0.58) KDM4EALDH1A1KAT2BKMT2AMEN1
SCHEMBL24744934 0.83 KDM4E (0.45) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL28855675 0.82 KAT2B (0.60) KDM4EALDH1A1KAT2BKMT2AMEN1
SCHEMBL20810699 0.78 KDM4E (0.46) KDM4EGLAALDH1A1GAAKAT2B
SCHEMBL30051772 0.78 KDM4E (0.46) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL28855375 0.78 KAT2B (0.58) ALDH1A1KAT2BKMT2AMEN1MAPK1
SCHEMBL28855433 0.78 KAT2B (0.55) ALDH1A1KAT2BKMT2AMEN1CYP1A2

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
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 — — CN disclosed
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