SCHEMBL28839348

SCHEMBL28839348

COC(=O)c1ccc2nc(C)n(C[C@@H]3CCO3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ACSS2 Q9NR19 2/20 0.46
▸ SPHK1 Q9NYA1 3/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.45
▸ PTGER4 P35408 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29770353 1.00 KDM4E (0.54) KDM4EALDH1A1MAPK1ACSS2SPHK1
SCHEMBL30174466 1.00 KDM4E (0.54) KDM4EALDH1A1MAPK1ACSS2SPHK1
SCHEMBL28839349 1.00 KDM4E (0.54) KDM4EALDH1A1MAPK1ACSS2SPHK1
SCHEMBL23980750 0.88 PTGER4 (0.52) ACSS2SPHK1SPHK2PTGER4GLP1R
SCHEMBL29770328 0.88 PTGER4 (0.52) ACSS2SPHK1SPHK2PTGER4GLP1R
SCHEMBL30020631 0.88 ALDH1A1 (0.46) KDM4EALDH1A1MAPK1ACSS2PTGER4
SCHEMBL24900216 0.88 ALDH1A1 (0.46) KDM4EALDH1A1MAPK1ACSS2PTGER4
SCHEMBL24900218 0.88 ALDH1A1 (0.46) KDM4EALDH1A1MAPK1ACSS2PTGER4
SCHEMBL25005475 0.87 ACSS2 (0.47) KDM4EALDH1A1MAPK1ACSS2GLP1R
SCHEMBL30680763 0.87 ALDH1A1 (0.45) KDM4EALDH1A1MAPK1ACSS2MEN1

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-114907351-A Tricyclic GLP-1 receptor agonists and uses thereof 杭州中美华东制药有限公司 2022-08-16 — — CN disclosed
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