SCHEMBL23577638

SCHEMBL23577638

COC(=O)c1cc2c(cc1[N+](=O)[O-])OC1(CC1)C(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.42
▸ POLB P06746 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ RECQL P46063 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23578236 0.86 SIRT6 (0.41) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL28965731 0.83 SIRT6 (0.39) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL30034928 0.81 KDM4E (0.52) POLBMAPTKDM4EGAAHTT
SCHEMBL23578068 0.81 KDM4E (0.52) POLBMAPTKDM4EGAAHTT
SCHEMBL23577603 0.78 MAPT (0.45) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL28965622 0.77 SIRT6 (0.39) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL23578343 0.75 SIRT6 (0.44) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL30183710 0.75 SIRT6 (0.40) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL23578549 0.75 SIRT6 (0.40) SIRT6POLBMAPTKDM4ERECQL
SCHEMBL28965638 0.75 KDM4E (0.42) SIRT6POLBMAPTKDM4ERECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 — — CN disclosed
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
EP-4081521-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-11-02 — — EP disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
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