SCHEMBL28965731

SCHEMBL28965731

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ POLB P06746 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RECQL P46063 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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 0.85 SIRT6 (0.41) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL23577638 0.83 SIRT6 (0.42) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL29267770 0.76 POLB (0.40) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL23577603 0.75 MAPT (0.45) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL23578343 0.75 SIRT6 (0.44) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL28965638 0.74 KDM4E (0.42) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL29267748 0.74 ALDH1A1 (0.42) SIRT6POLBTDP1MAPTRECQL
SCHEMBL30183682 0.74 SIRT6 (0.43) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL23578549 0.72 SIRT6 (0.40) SIRT6POLBKDM4ETDP1MAPT
SCHEMBL30183710 0.72 SIRT6 (0.40) SIRT6POLBKDM4ETDP1MAPT

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-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
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