SCHEMBL25387167

SCHEMBL25387167

C=CCN1C(=O)COc2cc([N+](=O)[O-])c(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ 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

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
SCHEMBL30183714 0.87 ALDH1A1 (0.43) PLK1SIRT6KDM4EKMT2APOLB
SCHEMBL23590845 0.87 ALDH1A1 (0.43) PLK1SIRT6KDM4EKMT2APOLB
SCHEMBL29267734 0.84 TSHR (0.44) PLK1SIRT6KDM4EKMT2APOLB
SCHEMBL30183974 0.84 KDM4E (0.39) PLK1SIRT6KDM4EKMT2APOLB
SCHEMBL25387698 0.83 KDM4E (0.48) PLK1KDM4EKMT2AMAPTGAA
SCHEMBL23577603 0.82 MAPT (0.45) SIRT6KDM4EKMT2APOLBMAPT
SCHEMBL30183808 0.80 MAPT (0.36) PLK1SIRT6KDM4EKMT2APOLB
SCHEMBL30036494 0.80 MAPT (0.36) PLK1SIRT6KDM4EKMT2APOLB
SCHEMBL17934416 0.79 EGFR (0.46) KDM4EMAPTALDH1A1
SCHEMBL29010945 0.77 SIRT6 (0.45) SIRT6KDM4EKMT2APOLBMAPT

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
WO-2023165438-A1 TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-07 — — WO disclosed
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