SCHEMBL29238062

SCHEMBL29238062

CC(C)(C)OC(=O)N1CCC(CNCCCN=[N+]=[N-])CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TGFBR1 P36897 2/20 0.45
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ GLS O94925 2/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ GPR119 Q8TDV5 5/20 0.41
▸ HPGD P15428 1/20 0.40
▸ FAAH O00519 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
SCHEMBL30407016 0.86 GPR119 (0.49) KDM4EPKMKEAP1NFE2L2EPHX1
SCHEMBL13509914 0.81 HPGD (0.47) KDM4EPKMTGFBR1KEAP1NFE2L2
SCHEMBL5573225 0.80 KDM4E (0.63) KDM4EPKMTGFBR1GLSEPHX1
SCHEMBL1238023 0.79 KDM4E (0.56) KDM4EPKMTGFBR1GLSEPHX1
SCHEMBL3581788 0.79 KDM4E (0.56) KDM4EPKMTGFBR1GLSEPHX1
SCHEMBL1244846 0.77 KDM4E (0.54) KDM4EPKMTGFBR1GLSEPHX1
SCHEMBL19477449 0.77 KDM4E (0.49) KDM4EPKMTGFBR1KEAP1NFE2L2
SCHEMBL1244714 0.76 KDM4E (0.59) KDM4EPKMTGFBR1GLSEPHX1
SCHEMBL13694467 0.76 NR1H2 (0.43) KDM4EPKMTGFBR1KEAP1NFE2L2
SCHEMBL14678793 0.76 NR1H2 (0.43) KDM4EPKMTGFBR1KEAP1NFE2L2

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-118239928-A Fibroblast activation protein affinity compound and radioactive marker thereof 南京思锘新药研发有限公司 2024-06-25 — — CN disclosed
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