SCHEMBL30183710

SCHEMBL30183710

COC(=O)c1cc2c(cc1[N+](=O)[O-])C1(CN(C)C(=O)O1)C(=O)N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ RECQL P46063 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ VCAM1 P19320 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 2/20 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
SCHEMBL23578549 1.00 SIRT6 (0.40) SIRT6KDM4EMAPTPOLBTDP1
SCHEMBL23591270 0.84 KDM4E (0.40) KDM4EMAPTPOLBGAAALDH1A1
SCHEMBL30035647 0.84 KDM4E (0.40) KDM4EMAPTPOLBGAAALDH1A1
SCHEMBL23578343 0.80 SIRT6 (0.44) SIRT6KDM4EMAPTPOLBTDP1
SCHEMBL30183682 0.79 SIRT6 (0.43) SIRT6KDM4EMAPTPOLBTDP1
SCHEMBL23591294 0.77 SMN1; SMN2 (0.44) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL23577725 0.75 SIRT6 (0.40) SIRT6KDM4EMAPTPOLBTDP1
SCHEMBL23577638 0.75 SIRT6 (0.42) SIRT6KDM4EMAPTPOLBTDP1
SCHEMBL23591009 0.75 ALDH1A1 (0.40) SIRT6KDM4EMAPTPOLBTDP1
SCHEMBL28965697 0.75 SIRT6 (0.44) SIRT6KDM4EMAPTPOLBTDP1

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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