SCHEMBL30020631

SCHEMBL30020631

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ACSS2 Q9NR19 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ GLP1R P43220 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL24900216 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL24900218 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL24900073 0.95 ALDH1A1 (0.52) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL30021048 0.95 ALDH1A1 (0.52) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL24900074 0.95 ALDH1A1 (0.52) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL30020881 0.95 ALDH1A1 (0.52) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL30948847 0.88 ACSS2 (0.40) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL29770353 0.88 KDM4E (0.54) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL28839348 0.88 KDM4E (0.54) ALDH1A1MAPK1ACSS2KDM4ERAB9A
SCHEMBL28839349 0.88 KDM4E (0.54) ALDH1A1MAPK1ACSS2KDM4ERAB9A

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-115279750-B GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2024-06-21 — — CN disclosed
CN-115279750-A GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2022-11-01 — — CN disclosed
Send feedback