SCHEMBL28965697

SCHEMBL28965697

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSPA9 P38646 1/20 0.36

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
SCHEMBL23578343 0.82 SIRT6 (0.44) SIRT6ALDH1A1HTTLMNAPDGFRB
SCHEMBL23011959 0.81 MAP3K5 (0.47) ALDH1A1HTTLMNAHDAC3HDAC4
SCHEMBL23590708 0.81 KDM4E (0.42) ALDH1A1HTTHDAC3HDAC4HDAC1
SCHEMBL30183682 0.79 SIRT6 (0.43) SIRT6ALDH1A1HTTLMNAPDGFRB
SCHEMBL23591009 0.77 ALDH1A1 (0.40) SIRT6ALDH1A1HTTLMNAPDGFRB
SCHEMBL28965721 0.76 ALDH1A1 (0.40) SIRT6ALDH1A1HTTLMNAPDGFRB
SCHEMBL29267763 0.76 SIRT6 (0.40) SIRT6ALDH1A1HTTLMNAHDAC3
SCHEMBL23577603 0.75 MAPT (0.45) SIRT6ALDH1A1HTTLMNAPDGFRB
SCHEMBL23577725 0.75 SIRT6 (0.40) SIRT6ALDH1A1HTTLMNAPDGFRB
SCHEMBL23578549 0.75 SIRT6 (0.40) SIRT6ALDH1A1HTTLMNAPDGFRB

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-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
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